data_18823 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18823 _Entry.Title ; 1H, 13C and 15N resonance assignments of the C-terminal domain of PpdD ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-11-06 _Entry.Accession_date 2012-11-06 _Entry.Last_release_date 2013-01-29 _Entry.Original_release_date 2013-01-29 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Gisele Amorim . C. . 18823 2 David Cisneros . A. . 18823 3 Muriel Delepierre . . . 18823 4 Olivera Francetic . . . 18823 5 Nadia Izadi-Pruneyre . . . 18823 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18823 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 460 18823 '15N chemical shifts' 124 18823 '1H chemical shifts' 759 18823 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2013-01-29 2012-11-06 original author . 18823 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18823 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23242787 _Citation.Full_citation . _Citation.Title '(1)H, (15)N and (13)C resonance assignments of PpdD, a type IV pilin from enterohemorrhagic Escherichia coli.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assignments' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Gisele Amorim . C. . 18823 1 2 David Cisneros . A. . 18823 1 3 Muriel Delepierre . . . 18823 1 4 Olivera Francetic . . . 18823 1 5 Nadia Izadi-Pruneyre . . . 18823 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18823 _Assembly.ID 1 _Assembly.Name PpdD _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'prepilin peptidase-dependent protein D' 1 $PpdD A . yes native no no . . . 18823 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 27 27 SG . 1 . 1 CYS 37 37 SG . . . . . . . . . . 18823 1 2 disulfide single . 1 . 1 CYS 95 95 SG . 1 . 1 CYS 107 107 SG . . . . . . . . . . 18823 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_PpdD _Entity.Sf_category entity _Entity.Sf_framecode PpdD _Entity.Entry_ID 18823 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name PpdD _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MENYLRKAALTDMLQTFVPY RTAVELCALEHGGLDTCDGG SNGIPSPTTTRYVSAMSVAK GVVSLTGQESLNGLSVVMTP GWDNANGVTGWARNCNIQSD SALQQACEDVFRFDDANLVP RGSGLEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 132 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 14227.7895 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no DBJ BAB33535 . "prelipin peptidase dependent protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.88 146 99.14 100.00 2.72e-79 . . . . 18823 1 2 no DBJ BAB96678 . "predicted major pilin subunit [Escherichia coli str. K12 substr. W3110]" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 3 no DBJ BAG75632 . "prelipin peptidase dependent protein [Escherichia coli SE11]" . . . . . 87.88 146 97.41 98.28 2.57e-77 . . . . 18823 1 4 no DBJ BAI23471 . "predicted major pilin subunit [Escherichia coli O26:H11 str. 11368]" . . . . . 87.88 146 97.41 98.28 1.93e-77 . . . . 18823 1 5 no DBJ BAI34110 . "predicted major pilin subunit [Escherichia coli O111:H- str. 11128]" . . . . . 87.88 146 97.41 98.28 1.93e-77 . . . . 18823 1 6 no EMBL CAQ30623 . "prepilin peptidase dependent protein [Escherichia coli BL21(DE3)]" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 7 no EMBL CAR01475 . "putative major pilin subunit [Escherichia coli S88]" . . . . . 87.88 146 97.41 99.14 7.48e-78 . . . . 18823 1 8 no EMBL CAR06329 . "putative major pilin subunit [Escherichia coli ED1a]" . . . . . 87.88 146 97.41 99.14 7.48e-78 . . . . 18823 1 9 no EMBL CAR11328 . "putative major pilin subunit [Escherichia coli UMN026]" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 10 no EMBL CAR16249 . "putative major pilin subunit [Escherichia coli IAI39]" . . . . . 87.88 146 97.41 99.14 7.48e-78 . . . . 18823 1 11 no GB AAC36923 . "prepilin-like peptidase dependent protein [Escherichia coli]" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 12 no GB AAC73219 . "putative prepilin peptidase-dependent pilin [Escherichia coli str. K-12 substr. MG1655]" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 13 no GB AAG54412 . "prelipin peptidase dependent protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 87.88 146 99.14 100.00 2.72e-79 . . . . 18823 1 14 no GB AAN41769 . "prelipin peptidase dependent protein [Shigella flexneri 2a str. 301]" . . . . . 87.88 146 99.14 100.00 2.81e-79 . . . . 18823 1 15 no GB AAP15650 . "prelipin peptidase dependent protein [Shigella flexneri 2a str. 2457T]" . . . . . 87.88 146 99.14 100.00 2.81e-79 . . . . 18823 1 16 no REF NP_308139 . "major pilin subunit [Escherichia coli O157:H7 str. Sakai]" . . . . . 87.88 146 99.14 100.00 2.72e-79 . . . . 18823 1 17 no REF NP_414650 . "putative prepilin peptidase-dependent pilin [Escherichia coli str. K-12 substr. MG1655]" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 18 no REF NP_706062 . "major pilin subunit [Shigella flexneri 2a str. 301]" . . . . . 87.88 146 99.14 100.00 2.81e-79 . . . . 18823 1 19 no REF WP_000360887 . "major pilin subunit [Escherichia coli]" . . . . . 87.88 146 97.41 99.14 5.82e-78 . . . . 18823 1 20 no REF WP_000360895 . "MULTISPECIES: major pilin subunit [Enterobacteriaceae]" . . . . . 87.88 146 97.41 98.28 2.57e-77 . . . . 18823 1 21 no SP P36647 . "RecName: Full=Prepilin peptidase-dependent protein D; Flags: Precursor" . . . . . 87.88 146 98.28 99.14 1.44e-78 . . . . 18823 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'major pilin of type IV pilus' 18823 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18823 1 2 . GLU . 18823 1 3 . ASN . 18823 1 4 . TYR . 18823 1 5 . LEU . 18823 1 6 . ARG . 18823 1 7 . LYS . 18823 1 8 . ALA . 18823 1 9 . ALA . 18823 1 10 . LEU . 18823 1 11 . THR . 18823 1 12 . ASP . 18823 1 13 . MET . 18823 1 14 . LEU . 18823 1 15 . GLN . 18823 1 16 . THR . 18823 1 17 . PHE . 18823 1 18 . VAL . 18823 1 19 . PRO . 18823 1 20 . TYR . 18823 1 21 . ARG . 18823 1 22 . THR . 18823 1 23 . ALA . 18823 1 24 . VAL . 18823 1 25 . GLU . 18823 1 26 . LEU . 18823 1 27 . CYS . 18823 1 28 . ALA . 18823 1 29 . LEU . 18823 1 30 . GLU . 18823 1 31 . HIS . 18823 1 32 . GLY . 18823 1 33 . GLY . 18823 1 34 . LEU . 18823 1 35 . ASP . 18823 1 36 . THR . 18823 1 37 . CYS . 18823 1 38 . ASP . 18823 1 39 . GLY . 18823 1 40 . GLY . 18823 1 41 . SER . 18823 1 42 . ASN . 18823 1 43 . GLY . 18823 1 44 . ILE . 18823 1 45 . PRO . 18823 1 46 . SER . 18823 1 47 . PRO . 18823 1 48 . THR . 18823 1 49 . THR . 18823 1 50 . THR . 18823 1 51 . ARG . 18823 1 52 . TYR . 18823 1 53 . VAL . 18823 1 54 . SER . 18823 1 55 . ALA . 18823 1 56 . MET . 18823 1 57 . SER . 18823 1 58 . VAL . 18823 1 59 . ALA . 18823 1 60 . LYS . 18823 1 61 . GLY . 18823 1 62 . VAL . 18823 1 63 . VAL . 18823 1 64 . SER . 18823 1 65 . LEU . 18823 1 66 . THR . 18823 1 67 . GLY . 18823 1 68 . GLN . 18823 1 69 . GLU . 18823 1 70 . SER . 18823 1 71 . LEU . 18823 1 72 . ASN . 18823 1 73 . GLY . 18823 1 74 . LEU . 18823 1 75 . SER . 18823 1 76 . VAL . 18823 1 77 . VAL . 18823 1 78 . MET . 18823 1 79 . THR . 18823 1 80 . PRO . 18823 1 81 . GLY . 18823 1 82 . TRP . 18823 1 83 . ASP . 18823 1 84 . ASN . 18823 1 85 . ALA . 18823 1 86 . ASN . 18823 1 87 . GLY . 18823 1 88 . VAL . 18823 1 89 . THR . 18823 1 90 . GLY . 18823 1 91 . TRP . 18823 1 92 . ALA . 18823 1 93 . ARG . 18823 1 94 . ASN . 18823 1 95 . CYS . 18823 1 96 . ASN . 18823 1 97 . ILE . 18823 1 98 . GLN . 18823 1 99 . SER . 18823 1 100 . ASP . 18823 1 101 . SER . 18823 1 102 . ALA . 18823 1 103 . LEU . 18823 1 104 . GLN . 18823 1 105 . GLN . 18823 1 106 . ALA . 18823 1 107 . CYS . 18823 1 108 . GLU . 18823 1 109 . ASP . 18823 1 110 . VAL . 18823 1 111 . PHE . 18823 1 112 . ARG . 18823 1 113 . PHE . 18823 1 114 . ASP . 18823 1 115 . ASP . 18823 1 116 . ALA . 18823 1 117 . ASN . 18823 1 118 . LEU . 18823 1 119 . VAL . 18823 1 120 . PRO . 18823 1 121 . ARG . 18823 1 122 . GLY . 18823 1 123 . SER . 18823 1 124 . GLY . 18823 1 125 . LEU . 18823 1 126 . GLU . 18823 1 127 . HIS . 18823 1 128 . HIS . 18823 1 129 . HIS . 18823 1 130 . HIS . 18823 1 131 . HIS . 18823 1 132 . HIS . 18823 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18823 1 . GLU 2 2 18823 1 . ASN 3 3 18823 1 . TYR 4 4 18823 1 . LEU 5 5 18823 1 . ARG 6 6 18823 1 . LYS 7 7 18823 1 . ALA 8 8 18823 1 . ALA 9 9 18823 1 . LEU 10 10 18823 1 . THR 11 11 18823 1 . ASP 12 12 18823 1 . MET 13 13 18823 1 . LEU 14 14 18823 1 . GLN 15 15 18823 1 . THR 16 16 18823 1 . PHE 17 17 18823 1 . VAL 18 18 18823 1 . PRO 19 19 18823 1 . TYR 20 20 18823 1 . ARG 21 21 18823 1 . THR 22 22 18823 1 . ALA 23 23 18823 1 . VAL 24 24 18823 1 . GLU 25 25 18823 1 . LEU 26 26 18823 1 . CYS 27 27 18823 1 . ALA 28 28 18823 1 . LEU 29 29 18823 1 . GLU 30 30 18823 1 . HIS 31 31 18823 1 . GLY 32 32 18823 1 . GLY 33 33 18823 1 . LEU 34 34 18823 1 . ASP 35 35 18823 1 . THR 36 36 18823 1 . CYS 37 37 18823 1 . ASP 38 38 18823 1 . GLY 39 39 18823 1 . GLY 40 40 18823 1 . SER 41 41 18823 1 . ASN 42 42 18823 1 . GLY 43 43 18823 1 . ILE 44 44 18823 1 . PRO 45 45 18823 1 . SER 46 46 18823 1 . PRO 47 47 18823 1 . THR 48 48 18823 1 . THR 49 49 18823 1 . THR 50 50 18823 1 . ARG 51 51 18823 1 . TYR 52 52 18823 1 . VAL 53 53 18823 1 . SER 54 54 18823 1 . ALA 55 55 18823 1 . MET 56 56 18823 1 . SER 57 57 18823 1 . VAL 58 58 18823 1 . ALA 59 59 18823 1 . LYS 60 60 18823 1 . GLY 61 61 18823 1 . VAL 62 62 18823 1 . VAL 63 63 18823 1 . SER 64 64 18823 1 . LEU 65 65 18823 1 . THR 66 66 18823 1 . GLY 67 67 18823 1 . GLN 68 68 18823 1 . GLU 69 69 18823 1 . SER 70 70 18823 1 . LEU 71 71 18823 1 . ASN 72 72 18823 1 . GLY 73 73 18823 1 . LEU 74 74 18823 1 . SER 75 75 18823 1 . VAL 76 76 18823 1 . VAL 77 77 18823 1 . MET 78 78 18823 1 . THR 79 79 18823 1 . PRO 80 80 18823 1 . GLY 81 81 18823 1 . TRP 82 82 18823 1 . ASP 83 83 18823 1 . ASN 84 84 18823 1 . ALA 85 85 18823 1 . ASN 86 86 18823 1 . GLY 87 87 18823 1 . VAL 88 88 18823 1 . THR 89 89 18823 1 . GLY 90 90 18823 1 . TRP 91 91 18823 1 . ALA 92 92 18823 1 . ARG 93 93 18823 1 . ASN 94 94 18823 1 . CYS 95 95 18823 1 . ASN 96 96 18823 1 . ILE 97 97 18823 1 . GLN 98 98 18823 1 . SER 99 99 18823 1 . ASP 100 100 18823 1 . SER 101 101 18823 1 . ALA 102 102 18823 1 . LEU 103 103 18823 1 . GLN 104 104 18823 1 . GLN 105 105 18823 1 . ALA 106 106 18823 1 . CYS 107 107 18823 1 . GLU 108 108 18823 1 . ASP 109 109 18823 1 . VAL 110 110 18823 1 . PHE 111 111 18823 1 . ARG 112 112 18823 1 . PHE 113 113 18823 1 . ASP 114 114 18823 1 . ASP 115 115 18823 1 . ALA 116 116 18823 1 . ASN 117 117 18823 1 . LEU 118 118 18823 1 . VAL 119 119 18823 1 . PRO 120 120 18823 1 . ARG 121 121 18823 1 . GLY 122 122 18823 1 . SER 123 123 18823 1 . GLY 124 124 18823 1 . LEU 125 125 18823 1 . GLU 126 126 18823 1 . HIS 127 127 18823 1 . HIS 128 128 18823 1 . HIS 129 129 18823 1 . HIS 130 130 18823 1 . HIS 131 131 18823 1 . HIS 132 132 18823 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 18823 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $PpdD . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli O157:H7 . . . . . . . . . . . . . . . . . . . . 18823 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 18823 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $PpdD . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli O157:H7 . . . . . . . . . . . . . . . pET22b . . . . . . 18823 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18823 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 PpdD '[U-13C; U-15N]' . . 1 $PpdD . . 0.9 . . mM . . . . 18823 1 2 'sodium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18823 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18823 1 4 D2O 'natural abundance' . . . . . . 15 . . % . . . . 18823 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18823 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 18823 1 pH 7 . pH 18823 1 pressure 1 . atm 18823 1 temperature 298 . K 18823 1 stop_ save_ ############################ # Computer software used # ############################ save_CcpNnmr_Analysis _Software.Sf_category software _Software.Sf_framecode CcpNnmr_Analysis _Software.Entry_ID 18823 _Software.ID 1 _Software.Name CcpNnmr_Analysis _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN 'Department of Biochemistry, Cambridge CB2 1GA, UK' http://www.ccpn.ac.uk 18823 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18823 1 'data analysis' 18823 1 'peak picking' 18823 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18823 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18823 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Varian INOVA . 600 . . . 18823 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 18823 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 2 '2D 1H-13C HSQC' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 3 '3D CBCA(CO)NH' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 4 '3D HNCO' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 5 '3D HNCACB' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 6 '3D HCCH-TOCSY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 7 '3D 1H-15N NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 8 '3D 1H-13C NOESY' no 1 $NMR_spectrometer_expt . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18823 1 stop_ save_ save_NMR_spectrometer_expt _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spectrometer_expt _NMR_spec_expt.Entry_ID 18823 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name . _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer_1 _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID 1 _NMR_spec_expt.Software_label $CcpNnmr_Analysis _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18823 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.251449530 . . . . . . . . . 18823 1 H 1 DSS 'methyl protons' . . . . ppm 0 external direct 1 . . . . . . . . . 18823 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.101329118 . . . . . . . . . 18823 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18823 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D CBCA(CO)NH' . . . 18823 1 4 '3D HNCO' . . . 18823 1 5 '3D HNCACB' . . . 18823 1 6 '3D HCCH-TOCSY' . . . 18823 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 3 3 ASN HA H 1 4.558 0.013 . 1 . . . . 3 ASN HA . 18823 1 2 . 1 1 3 3 ASN HB2 H 1 2.791 0.034 . 1 . . . . 3 ASN HB2 . 18823 1 3 . 1 1 3 3 ASN HB3 H 1 2.787 0.036 . 1 . . . . 3 ASN HB3 . 18823 1 4 . 1 1 3 3 ASN C C 13 176.403 0.000 . 1 . . . . 3 ASN C . 18823 1 5 . 1 1 3 3 ASN CA C 13 54.612 0.000 . 1 . . . . 3 ASN CA . 18823 1 6 . 1 1 3 3 ASN CB C 13 38.160 0.115 . 1 . . . . 3 ASN CB . 18823 1 7 . 1 1 4 4 TYR H H 1 8.406 0.017 . 1 . . . . 4 TYR H . 18823 1 8 . 1 1 4 4 TYR HA H 1 4.335 0.011 . 1 . . . . 4 TYR HA . 18823 1 9 . 1 1 4 4 TYR HB2 H 1 3.085 0.016 . 1 . . . . 4 TYR HB2 . 18823 1 10 . 1 1 4 4 TYR HB3 H 1 3.085 0.016 . 1 . . . . 4 TYR HB3 . 18823 1 11 . 1 1 4 4 TYR HD1 H 1 7.105 0.009 . 3 . . . . 4 TYR HD1 . 18823 1 12 . 1 1 4 4 TYR HD2 H 1 7.105 0.009 . 3 . . . . 4 TYR HD2 . 18823 1 13 . 1 1 4 4 TYR HE1 H 1 6.809 0.005 . 3 . . . . 4 TYR HE1 . 18823 1 14 . 1 1 4 4 TYR HE2 H 1 6.809 0.005 . 3 . . . . 4 TYR HE2 . 18823 1 15 . 1 1 4 4 TYR C C 13 177.432 0.000 . 1 . . . . 4 TYR C . 18823 1 16 . 1 1 4 4 TYR CA C 13 59.929 0.120 . 1 . . . . 4 TYR CA . 18823 1 17 . 1 1 4 4 TYR CB C 13 37.511 0.193 . 1 . . . . 4 TYR CB . 18823 1 18 . 1 1 4 4 TYR CD1 C 13 133.177 0.000 . 3 . . . . 4 TYR CD1 . 18823 1 19 . 1 1 4 4 TYR CD2 C 13 133.177 0.000 . 3 . . . . 4 TYR CD2 . 18823 1 20 . 1 1 4 4 TYR CE1 C 13 119.558 0.000 . 3 . . . . 4 TYR CE1 . 18823 1 21 . 1 1 4 4 TYR CE2 C 13 119.558 0.000 . 3 . . . . 4 TYR CE2 . 18823 1 22 . 1 1 4 4 TYR N N 15 121.442 0.021 . 1 . . . . 4 TYR N . 18823 1 23 . 1 1 5 5 LEU H H 1 7.807 0.004 . 1 . . . . 5 LEU H . 18823 1 24 . 1 1 5 5 LEU HA H 1 4.040 0.014 . 1 . . . . 5 LEU HA . 18823 1 25 . 1 1 5 5 LEU HB2 H 1 1.736 0.011 . 2 . . . . 5 LEU HB2 . 18823 1 26 . 1 1 5 5 LEU HB3 H 1 1.524 0.027 . 2 . . . . 5 LEU HB3 . 18823 1 27 . 1 1 5 5 LEU HG H 1 1.397 0.017 . 1 . . . . 5 LEU HG . 18823 1 28 . 1 1 5 5 LEU HD11 H 1 0.889 0.018 . 1 . . . . 5 LEU HD11 . 18823 1 29 . 1 1 5 5 LEU HD12 H 1 0.889 0.018 . 1 . . . . 5 LEU HD12 . 18823 1 30 . 1 1 5 5 LEU HD13 H 1 0.906 0.018 . 2 . . . . 5 LEU HD13 . 18823 1 31 . 1 1 5 5 LEU HD21 H 1 0.890 0.021 . 1 . . . . 5 LEU HD21 . 18823 1 32 . 1 1 5 5 LEU HD22 H 1 0.890 0.021 . 1 . . . . 5 LEU HD22 . 18823 1 33 . 1 1 5 5 LEU HD23 H 1 0.890 0.021 . 1 . . . . 5 LEU HD23 . 18823 1 34 . 1 1 5 5 LEU C C 13 179.485 0.000 . 1 . . . . 5 LEU C . 18823 1 35 . 1 1 5 5 LEU CA C 13 57.352 0.000 . 1 . . . . 5 LEU CA . 18823 1 36 . 1 1 5 5 LEU CB C 13 41.446 0.228 . 1 . . . . 5 LEU CB . 18823 1 37 . 1 1 5 5 LEU CG C 13 26.895 0.225 . 1 . . . . 5 LEU CG . 18823 1 38 . 1 1 5 5 LEU CD1 C 13 23.190 0.000 . 2 . . . . 5 LEU CD1 . 18823 1 39 . 1 1 5 5 LEU CD2 C 13 23.130 0.115 . 2 . . . . 5 LEU CD2 . 18823 1 40 . 1 1 5 5 LEU N N 15 122.536 0.062 . 1 . . . . 5 LEU N . 18823 1 41 . 1 1 6 6 ARG H H 1 7.719 0.008 . 1 . . . . 6 ARG H . 18823 1 42 . 1 1 6 6 ARG HA H 1 3.892 0.014 . 1 . . . . 6 ARG HA . 18823 1 43 . 1 1 6 6 ARG HB3 H 1 1.723 0.028 . 1 . . . . 6 ARG HB3 . 18823 1 44 . 1 1 6 6 ARG HG2 H 1 1.614 0.024 . 2 . . . . 6 ARG HG2 . 18823 1 45 . 1 1 6 6 ARG HG3 H 1 1.484 0.025 . 2 . . . . 6 ARG HG3 . 18823 1 46 . 1 1 6 6 ARG HD2 H 1 3.096 0.031 . 1 . . . . 6 ARG HD2 . 18823 1 47 . 1 1 6 6 ARG HD3 H 1 3.098 0.033 . 1 . . . . 6 ARG HD3 . 18823 1 48 . 1 1 6 6 ARG C C 13 177.311 0.000 . 1 . . . . 6 ARG C . 18823 1 49 . 1 1 6 6 ARG CA C 13 60.018 0.000 . 1 . . . . 6 ARG CA . 18823 1 50 . 1 1 6 6 ARG CB C 13 30.128 0.000 . 1 . . . . 6 ARG CB . 18823 1 51 . 1 1 6 6 ARG CG C 13 27.438 0.210 . 1 . . . . 6 ARG CG . 18823 1 52 . 1 1 6 6 ARG CD C 13 43.918 0.020 . 1 . . . . 6 ARG CD . 18823 1 53 . 1 1 6 6 ARG N N 15 119.453 0.059 . 1 . . . . 6 ARG N . 18823 1 54 . 1 1 7 7 LYS H H 1 7.834 0.012 . 1 . . . . 7 Lys H . 18823 1 55 . 1 1 7 7 LYS HA H 1 3.812 0.021 . 1 . . . . 7 Lys HA . 18823 1 56 . 1 1 7 7 LYS HB2 H 1 1.816 0.031 . 1 . . . . 7 Lys HB2 . 18823 1 57 . 1 1 7 7 LYS HB3 H 1 1.815 0.030 . 1 . . . . 7 Lys HB3 . 18823 1 58 . 1 1 7 7 LYS HG2 H 1 1.329 0.036 . 1 . . . . 7 Lys HG2 . 18823 1 59 . 1 1 7 7 LYS HG3 H 1 1.332 0.037 . 1 . . . . 7 Lys HG3 . 18823 1 60 . 1 1 7 7 LYS HD2 H 1 1.607 0.021 . 1 . . . . 7 Lys HD2 . 18823 1 61 . 1 1 7 7 LYS HD3 H 1 1.598 0.023 . 1 . . . . 7 Lys HD3 . 18823 1 62 . 1 1 7 7 LYS HE2 H 1 2.865 0.013 . 1 . . . . 7 Lys HE2 . 18823 1 63 . 1 1 7 7 LYS HE3 H 1 2.866 0.007 . 1 . . . . 7 Lys HE3 . 18823 1 64 . 1 1 7 7 LYS C C 13 178.889 0.000 . 1 . . . . 7 Lys C . 18823 1 65 . 1 1 7 7 LYS CA C 13 59.752 0.081 . 1 . . . . 7 Lys CA . 18823 1 66 . 1 1 7 7 LYS CB C 13 31.869 0.033 . 1 . . . . 7 Lys CB . 18823 1 67 . 1 1 7 7 LYS CG C 13 25.434 0.219 . 1 . . . . 7 Lys CG . 18823 1 68 . 1 1 7 7 LYS CD C 13 29.633 0.234 . 1 . . . . 7 Lys CD . 18823 1 69 . 1 1 7 7 LYS CE C 13 41.841 0.193 . 1 . . . . 7 Lys CE . 18823 1 70 . 1 1 7 7 LYS N N 15 118.731 0.102 . 1 . . . . 7 Lys N . 18823 1 71 . 1 1 8 8 ALA H H 1 8.083 0.009 . 1 . . . . 8 ALA H . 18823 1 72 . 1 1 8 8 ALA HA H 1 4.020 0.007 . 1 . . . . 8 ALA HA . 18823 1 73 . 1 1 8 8 ALA HB1 H 1 1.389 0.018 . 1 . . . . 8 ALA HB1 . 18823 1 74 . 1 1 8 8 ALA HB2 H 1 1.389 0.018 . 1 . . . . 8 ALA HB2 . 18823 1 75 . 1 1 8 8 ALA HB3 H 1 1.389 0.018 . 1 . . . . 8 ALA HB3 . 18823 1 76 . 1 1 8 8 ALA C C 13 180.107 0.000 . 1 . . . . 8 ALA C . 18823 1 77 . 1 1 8 8 ALA CA C 13 55.203 0.085 . 1 . . . . 8 ALA CA . 18823 1 78 . 1 1 8 8 ALA CB C 13 17.605 0.053 . 1 . . . . 8 ALA CB . 18823 1 79 . 1 1 8 8 ALA N N 15 123.050 0.075 . 1 . . . . 8 ALA N . 18823 1 80 . 1 1 9 9 ALA H H 1 7.586 0.010 . 1 . . . . 9 ALA H . 18823 1 81 . 1 1 9 9 ALA HA H 1 3.162 0.006 . 1 . . . . 9 ALA HA . 18823 1 82 . 1 1 9 9 ALA HB1 H 1 0.814 0.030 . 1 . . . . 9 ALA HB1 . 18823 1 83 . 1 1 9 9 ALA HB2 H 1 0.814 0.030 . 1 . . . . 9 ALA HB2 . 18823 1 84 . 1 1 9 9 ALA HB3 H 1 0.814 0.030 . 1 . . . . 9 ALA HB3 . 18823 1 85 . 1 1 9 9 ALA C C 13 178.959 0.000 . 1 . . . . 9 ALA C . 18823 1 86 . 1 1 9 9 ALA CA C 13 54.886 0.120 . 1 . . . . 9 ALA CA . 18823 1 87 . 1 1 9 9 ALA CB C 13 18.090 0.095 . 1 . . . . 9 ALA CB . 18823 1 88 . 1 1 9 9 ALA N N 15 122.490 0.093 . 1 . . . . 9 ALA N . 18823 1 89 . 1 1 10 10 LEU H H 1 7.965 0.007 . 1 . . . . 10 LEU H . 18823 1 90 . 1 1 10 10 LEU HA H 1 3.873 0.029 . 1 . . . . 10 LEU HA . 18823 1 91 . 1 1 10 10 LEU HB2 H 1 2.014 0.021 . 2 . . . . 10 LEU HB2 . 18823 1 92 . 1 1 10 10 LEU HB3 H 1 1.242 0.024 . 2 . . . . 10 LEU HB3 . 18823 1 93 . 1 1 10 10 LEU HG H 1 1.734 0.017 . 1 . . . . 10 LEU HG . 18823 1 94 . 1 1 10 10 LEU HD11 H 1 0.835 0.021 . 2 . . . . 10 LEU HD11 . 18823 1 95 . 1 1 10 10 LEU HD12 H 1 0.835 0.021 . 2 . . . . 10 LEU HD12 . 18823 1 96 . 1 1 10 10 LEU HD13 H 1 0.835 0.021 . 2 . . . . 10 LEU HD13 . 18823 1 97 . 1 1 10 10 LEU HD21 H 1 0.703 0.022 . 2 . . . . 10 LEU HD21 . 18823 1 98 . 1 1 10 10 LEU HD22 H 1 0.703 0.022 . 2 . . . . 10 LEU HD22 . 18823 1 99 . 1 1 10 10 LEU HD23 H 1 0.703 0.022 . 2 . . . . 10 LEU HD23 . 18823 1 100 . 1 1 10 10 LEU C C 13 178.389 0.000 . 1 . . . . 10 LEU C . 18823 1 101 . 1 1 10 10 LEU CA C 13 58.488 0.198 . 1 . . . . 10 LEU CA . 18823 1 102 . 1 1 10 10 LEU CB C 13 42.784 0.050 . 1 . . . . 10 LEU CB . 18823 1 103 . 1 1 10 10 LEU CG C 13 25.983 0.000 . 1 . . . . 10 LEU CG . 18823 1 104 . 1 1 10 10 LEU N N 15 117.748 0.055 . 1 . . . . 10 LEU N . 18823 1 105 . 1 1 11 11 THR H H 1 8.205 0.008 . 1 . . . . 11 THR H . 18823 1 106 . 1 1 11 11 THR HA H 1 3.653 0.011 . 1 . . . . 11 THR HA . 18823 1 107 . 1 1 11 11 THR HB H 1 4.230 0.015 . 1 . . . . 11 THR HB . 18823 1 108 . 1 1 11 11 THR HG21 H 1 1.193 0.025 . 1 . . . . 11 THR HG21 . 18823 1 109 . 1 1 11 11 THR HG22 H 1 1.193 0.025 . 1 . . . . 11 THR HG22 . 18823 1 110 . 1 1 11 11 THR HG23 H 1 1.193 0.025 . 1 . . . . 11 THR HG23 . 18823 1 111 . 1 1 11 11 THR C C 13 175.883 0.000 . 1 . . . . 11 THR C . 18823 1 112 . 1 1 11 11 THR CA C 13 66.438 0.344 . 1 . . . . 11 THR CA . 18823 1 113 . 1 1 11 11 THR CB C 13 68.327 0.027 . 1 . . . . 11 THR CB . 18823 1 114 . 1 1 11 11 THR CG2 C 13 21.706 0.263 . 1 . . . . 11 THR CG2 . 18823 1 115 . 1 1 11 11 THR N N 15 115.215 0.040 . 1 . . . . 11 THR N . 18823 1 116 . 1 1 12 12 ASP H H 1 7.657 0.013 . 1 . . . . 12 ASP H . 18823 1 117 . 1 1 12 12 ASP HA H 1 4.351 0.015 . 1 . . . . 12 ASP HA . 18823 1 118 . 1 1 12 12 ASP HB2 H 1 3.016 0.017 . 2 . . . . 12 ASP HB2 . 18823 1 119 . 1 1 12 12 ASP HB3 H 1 2.653 0.006 . 2 . . . . 12 ASP HB3 . 18823 1 120 . 1 1 12 12 ASP C C 13 178.514 0.000 . 1 . . . . 12 ASP C . 18823 1 121 . 1 1 12 12 ASP CA C 13 57.990 0.155 . 1 . . . . 12 ASP CA . 18823 1 122 . 1 1 12 12 ASP CB C 13 42.631 0.102 . 1 . . . . 12 ASP CB . 18823 1 123 . 1 1 12 12 ASP N N 15 124.856 0.049 . 1 . . . . 12 ASP N . 18823 1 124 . 1 1 13 13 MET H H 1 8.187 0.008 . 1 . . . . 13 MET H . 18823 1 125 . 1 1 13 13 MET HA H 1 3.935 0.026 . 1 . . . . 13 MET HA . 18823 1 126 . 1 1 13 13 MET HB2 H 1 2.150 0.007 . 1 . . . . 13 MET HB2 . 18823 1 127 . 1 1 13 13 MET HB3 H 1 2.147 0.012 . 1 . . . . 13 MET HB3 . 18823 1 128 . 1 1 13 13 MET HG2 H 1 2.625 0.013 . 2 . . . . 13 MET HG2 . 18823 1 129 . 1 1 13 13 MET HG3 H 1 2.303 0.017 . 2 . . . . 13 MET HG3 . 18823 1 130 . 1 1 13 13 MET C C 13 178.093 0.000 . 1 . . . . 13 MET C . 18823 1 131 . 1 1 13 13 MET CA C 13 59.940 0.078 . 1 . . . . 13 MET CA . 18823 1 132 . 1 1 13 13 MET CB C 13 33.720 0.000 . 1 . . . . 13 MET CB . 18823 1 133 . 1 1 13 13 MET CG C 13 32.495 0.073 . 1 . . . . 13 MET CG . 18823 1 134 . 1 1 13 13 MET N N 15 120.794 0.034 . 1 . . . . 13 MET N . 18823 1 135 . 1 1 14 14 LEU H H 1 8.407 0.016 . 1 . . . . 14 LEU H . 18823 1 136 . 1 1 14 14 LEU HA H 1 4.005 0.016 . 1 . . . . 14 LEU HA . 18823 1 137 . 1 1 14 14 LEU HB2 H 1 1.861 0.020 . 2 . . . . 14 LEU HB2 . 18823 1 138 . 1 1 14 14 LEU HB3 H 1 0.657 0.033 . 2 . . . . 14 LEU HB3 . 18823 1 139 . 1 1 14 14 LEU HG H 1 1.368 0.025 . 1 . . . . 14 LEU HG . 18823 1 140 . 1 1 14 14 LEU HD11 H 1 0.696 0.031 . 2 . . . . 14 LEU HD11 . 18823 1 141 . 1 1 14 14 LEU HD12 H 1 0.696 0.031 . 2 . . . . 14 LEU HD12 . 18823 1 142 . 1 1 14 14 LEU HD13 H 1 0.696 0.031 . 2 . . . . 14 LEU HD13 . 18823 1 143 . 1 1 14 14 LEU HD21 H 1 0.631 0.018 . 2 . . . . 14 LEU HD21 . 18823 1 144 . 1 1 14 14 LEU HD22 H 1 0.631 0.018 . 2 . . . . 14 LEU HD22 . 18823 1 145 . 1 1 14 14 LEU HD23 H 1 0.631 0.018 . 2 . . . . 14 LEU HD23 . 18823 1 146 . 1 1 14 14 LEU C C 13 178.481 0.000 . 1 . . . . 14 LEU C . 18823 1 147 . 1 1 14 14 LEU CA C 13 58.479 0.109 . 1 . . . . 14 LEU CA . 18823 1 148 . 1 1 14 14 LEU CB C 13 40.425 0.055 . 1 . . . . 14 LEU CB . 18823 1 149 . 1 1 14 14 LEU CG C 13 26.772 0.054 . 1 . . . . 14 LEU CG . 18823 1 150 . 1 1 14 14 LEU CD1 C 13 25.980 0.000 . 2 . . . . 14 LEU CD1 . 18823 1 151 . 1 1 14 14 LEU CD2 C 13 23.439 0.000 . 2 . . . . 14 LEU CD2 . 18823 1 152 . 1 1 14 14 LEU N N 15 121.529 0.040 . 1 . . . . 14 LEU N . 18823 1 153 . 1 1 15 15 GLN H H 1 8.138 0.012 . 1 . . . . 15 GLN H . 18823 1 154 . 1 1 15 15 GLN HA H 1 4.009 0.024 . 1 . . . . 15 GLN HA . 18823 1 155 . 1 1 15 15 GLN HB2 H 1 2.310 0.012 . 2 . . . . 15 GLN HB2 . 18823 1 156 . 1 1 15 15 GLN HB3 H 1 2.180 0.033 . 2 . . . . 15 GLN HB3 . 18823 1 157 . 1 1 15 15 GLN HG2 H 1 2.526 0.006 . 1 . . . . 15 GLN HG2 . 18823 1 158 . 1 1 15 15 GLN HG3 H 1 2.527 0.007 . 1 . . . . 15 GLN HG3 . 18823 1 159 . 1 1 15 15 GLN HE21 H 1 6.885 0.006 . 1 . . . . 15 GLN HE21 . 18823 1 160 . 1 1 15 15 GLN HE22 H 1 7.288 0.023 . 1 . . . . 15 GLN HE22 . 18823 1 161 . 1 1 15 15 GLN C C 13 179.499 0.000 . 1 . . . . 15 GLN C . 18823 1 162 . 1 1 15 15 GLN CA C 13 58.501 0.147 . 1 . . . . 15 GLN CA . 18823 1 163 . 1 1 15 15 GLN CB C 13 28.054 0.295 . 1 . . . . 15 GLN CB . 18823 1 164 . 1 1 15 15 GLN CG C 13 34.036 0.091 . 1 . . . . 15 GLN CG . 18823 1 165 . 1 1 15 15 GLN N N 15 117.395 0.108 . 1 . . . . 15 GLN N . 18823 1 166 . 1 1 15 15 GLN NE2 N 15 111.554 0.084 . 1 . . . . 15 GLN NE2 . 18823 1 167 . 1 1 16 16 THR H H 1 8.242 0.011 . 1 . . . . 16 THR H . 18823 1 168 . 1 1 16 16 THR HA H 1 4.047 0.025 . 1 . . . . 16 THR HA . 18823 1 169 . 1 1 16 16 THR HB H 1 4.551 0.012 . 1 . . . . 16 THR HB . 18823 1 170 . 1 1 16 16 THR HG21 H 1 1.200 0.025 . 1 . . . . 16 THR HG21 . 18823 1 171 . 1 1 16 16 THR HG22 H 1 1.200 0.025 . 1 . . . . 16 THR HG22 . 18823 1 172 . 1 1 16 16 THR HG23 H 1 1.200 0.025 . 1 . . . . 16 THR HG23 . 18823 1 173 . 1 1 16 16 THR C C 13 175.301 0.000 . 1 . . . . 16 THR C . 18823 1 174 . 1 1 16 16 THR CA C 13 66.357 0.100 . 1 . . . . 16 THR CA . 18823 1 175 . 1 1 16 16 THR CB C 13 68.575 0.076 . 1 . . . . 16 THR CB . 18823 1 176 . 1 1 16 16 THR CG2 C 13 22.191 0.346 . 1 . . . . 16 THR CG2 . 18823 1 177 . 1 1 16 16 THR N N 15 117.872 0.048 . 1 . . . . 16 THR N . 18823 1 178 . 1 1 17 17 PHE H H 1 7.920 0.013 . 1 . . . . 17 PHE H . 18823 1 179 . 1 1 17 17 PHE HA H 1 4.480 0.012 . 1 . . . . 17 PHE HA . 18823 1 180 . 1 1 17 17 PHE HB2 H 1 3.775 0.018 . 2 . . . . 17 PHE HB2 . 18823 1 181 . 1 1 17 17 PHE HB3 H 1 3.323 0.015 . 2 . . . . 17 PHE HB3 . 18823 1 182 . 1 1 17 17 PHE HD1 H 1 7.153 0.017 . 3 . . . . 17 PHE HD1 . 18823 1 183 . 1 1 17 17 PHE HD2 H 1 7.153 0.017 . 3 . . . . 17 PHE HD2 . 18823 1 184 . 1 1 17 17 PHE HE1 H 1 6.739 0.018 . 3 . . . . 17 PHE HE1 . 18823 1 185 . 1 1 17 17 PHE HE2 H 1 6.739 0.018 . 3 . . . . 17 PHE HE2 . 18823 1 186 . 1 1 17 17 PHE HZ H 1 5.498 0.015 . 1 . . . . 17 PHE HZ . 18823 1 187 . 1 1 17 17 PHE C C 13 176.263 0.000 . 1 . . . . 17 PHE C . 18823 1 188 . 1 1 17 17 PHE CA C 13 60.088 0.000 . 1 . . . . 17 PHE CA . 18823 1 189 . 1 1 17 17 PHE CB C 13 39.317 0.068 . 1 . . . . 17 PHE CB . 18823 1 190 . 1 1 17 17 PHE CD1 C 13 131.778 0.000 . 3 . . . . 17 PHE CD1 . 18823 1 191 . 1 1 17 17 PHE CD2 C 13 131.778 0.000 . 3 . . . . 17 PHE CD2 . 18823 1 192 . 1 1 17 17 PHE CE1 C 13 130.770 0.000 . 3 . . . . 17 PHE CE1 . 18823 1 193 . 1 1 17 17 PHE CE2 C 13 130.770 0.000 . 3 . . . . 17 PHE CE2 . 18823 1 194 . 1 1 17 17 PHE N N 15 119.126 0.070 . 1 . . . . 17 PHE N . 18823 1 195 . 1 1 18 18 VAL H H 1 7.900 0.017 . 1 . . . . 18 VAL H . 18823 1 196 . 1 1 18 18 VAL HA H 1 3.086 0.006 . 1 . . . . 18 VAL HA . 18823 1 197 . 1 1 18 18 VAL HB H 1 2.192 0.019 . 1 . . . . 18 VAL HB . 18823 1 198 . 1 1 18 18 VAL HG11 H 1 1.096 0.024 . 2 . . . . 18 VAL HG11 . 18823 1 199 . 1 1 18 18 VAL HG12 H 1 1.096 0.024 . 2 . . . . 18 VAL HG12 . 18823 1 200 . 1 1 18 18 VAL HG13 H 1 1.096 0.024 . 2 . . . . 18 VAL HG13 . 18823 1 201 . 1 1 18 18 VAL HG21 H 1 0.840 0.027 . 2 . . . . 18 VAL HG21 . 18823 1 202 . 1 1 18 18 VAL HG22 H 1 0.840 0.027 . 2 . . . . 18 VAL HG22 . 18823 1 203 . 1 1 18 18 VAL HG23 H 1 0.840 0.027 . 2 . . . . 18 VAL HG23 . 18823 1 204 . 1 1 18 18 VAL CA C 13 69.542 0.038 . 1 . . . . 18 VAL CA . 18823 1 205 . 1 1 18 18 VAL CB C 13 29.568 0.036 . 1 . . . . 18 VAL CB . 18823 1 206 . 1 1 18 18 VAL CG1 C 13 23.321 0.000 . 2 . . . . 18 VAL CG1 . 18823 1 207 . 1 1 18 18 VAL CG2 C 13 20.893 0.242 . 2 . . . . 18 VAL CG2 . 18823 1 208 . 1 1 18 18 VAL N N 15 119.246 0.113 . 1 . . . . 18 VAL N . 18823 1 209 . 1 1 19 19 PRO HA H 1 4.243 0.013 . 1 . . . . 19 PRO HA . 18823 1 210 . 1 1 19 19 PRO HB2 H 1 2.147 0.018 . 2 . . . . 19 PRO HB2 . 18823 1 211 . 1 1 19 19 PRO HB3 H 1 1.283 0.016 . 2 . . . . 19 PRO HB3 . 18823 1 212 . 1 1 19 19 PRO HG2 H 1 2.010 0.023 . 2 . . . . 19 PRO HG2 . 18823 1 213 . 1 1 19 19 PRO HG3 H 1 1.914 0.007 . 2 . . . . 19 PRO HG3 . 18823 1 214 . 1 1 19 19 PRO HD2 H 1 3.562 0.019 . 2 . . . . 19 PRO HD2 . 18823 1 215 . 1 1 19 19 PRO HD3 H 1 3.925 0.026 . 2 . . . . 19 PRO HD3 . 18823 1 216 . 1 1 19 19 PRO C C 13 180.421 0.000 . 1 . . . . 19 PRO C . 18823 1 217 . 1 1 19 19 PRO CA C 13 65.662 0.231 . 1 . . . . 19 PRO CA . 18823 1 218 . 1 1 19 19 PRO CB C 13 31.122 0.066 . 1 . . . . 19 PRO CB . 18823 1 219 . 1 1 19 19 PRO CG C 13 28.269 0.369 . 1 . . . . 19 PRO CG . 18823 1 220 . 1 1 19 19 PRO CD C 13 49.674 0.135 . 1 . . . . 19 PRO CD . 18823 1 221 . 1 1 20 20 TYR H H 1 7.463 0.013 . 1 . . . . 20 TYR H . 18823 1 222 . 1 1 20 20 TYR HA H 1 3.830 0.010 . 1 . . . . 20 TYR HA . 18823 1 223 . 1 1 20 20 TYR HB2 H 1 3.197 0.035 . 2 . . . . 20 TYR HB2 . 18823 1 224 . 1 1 20 20 TYR HB3 H 1 2.726 0.013 . 2 . . . . 20 TYR HB3 . 18823 1 225 . 1 1 20 20 TYR HD1 H 1 7.296 0.037 . 3 . . . . 20 TYR HD1 . 18823 1 226 . 1 1 20 20 TYR HD2 H 1 7.296 0.037 . 3 . . . . 20 TYR HD2 . 18823 1 227 . 1 1 20 20 TYR C C 13 176.236 0.000 . 1 . . . . 20 TYR C . 18823 1 228 . 1 1 20 20 TYR CA C 13 62.715 0.097 . 1 . . . . 20 TYR CA . 18823 1 229 . 1 1 20 20 TYR CB C 13 37.790 0.224 . 1 . . . . 20 TYR CB . 18823 1 230 . 1 1 20 20 TYR N N 15 116.286 0.055 . 1 . . . . 20 TYR N . 18823 1 231 . 1 1 21 21 ARG H H 1 7.388 0.013 . 1 . . . . 21 ARG H . 18823 1 232 . 1 1 21 21 ARG HA H 1 3.525 0.018 . 1 . . . . 21 ARG HA . 18823 1 233 . 1 1 21 21 ARG HB3 H 1 1.469 0.027 . 1 . . . . 21 ARG HB3 . 18823 1 234 . 1 1 21 21 ARG HG2 H 1 0.605 0.014 . 2 . . . . 21 ARG HG2 . 18823 1 235 . 1 1 21 21 ARG HG3 H 1 1.048 0.027 . 2 . . . . 21 ARG HG3 . 18823 1 236 . 1 1 21 21 ARG HD2 H 1 2.408 0.032 . 2 . . . . 21 ARG HD2 . 18823 1 237 . 1 1 21 21 ARG HD3 H 1 2.333 0.019 . 2 . . . . 21 ARG HD3 . 18823 1 238 . 1 1 21 21 ARG C C 13 178.334 0.000 . 1 . . . . 21 ARG C . 18823 1 239 . 1 1 21 21 ARG CA C 13 59.119 0.073 . 1 . . . . 21 ARG CA . 18823 1 240 . 1 1 21 21 ARG CB C 13 28.417 0.105 . 1 . . . . 21 ARG CB . 18823 1 241 . 1 1 21 21 ARG CG C 13 26.383 0.114 . 1 . . . . 21 ARG CG . 18823 1 242 . 1 1 21 21 ARG CD C 13 43.216 0.061 . 1 . . . . 21 ARG CD . 18823 1 243 . 1 1 21 21 ARG N N 15 121.466 0.129 . 1 . . . . 21 ARG N . 18823 1 244 . 1 1 22 22 THR H H 1 7.993 0.010 . 1 . . . . 22 THR H . 18823 1 245 . 1 1 22 22 THR HA H 1 3.817 0.016 . 1 . . . . 22 THR HA . 18823 1 246 . 1 1 22 22 THR HB H 1 3.981 0.022 . 1 . . . . 22 THR HB . 18823 1 247 . 1 1 22 22 THR HG21 H 1 1.215 0.031 . 1 . . . . 22 THR HG21 . 18823 1 248 . 1 1 22 22 THR HG22 H 1 1.215 0.031 . 1 . . . . 22 THR HG22 . 18823 1 249 . 1 1 22 22 THR HG23 H 1 1.215 0.031 . 1 . . . . 22 THR HG23 . 18823 1 250 . 1 1 22 22 THR C C 13 176.278 0.000 . 1 . . . . 22 THR C . 18823 1 251 . 1 1 22 22 THR CA C 13 65.930 0.226 . 1 . . . . 22 THR CA . 18823 1 252 . 1 1 22 22 THR CB C 13 69.086 0.124 . 1 . . . . 22 THR CB . 18823 1 253 . 1 1 22 22 THR CG2 C 13 21.811 0.188 . 1 . . . . 22 THR CG2 . 18823 1 254 . 1 1 22 22 THR N N 15 112.930 0.031 . 1 . . . . 22 THR N . 18823 1 255 . 1 1 23 23 ALA H H 1 7.520 0.019 . 1 . . . . 23 ALA H . 18823 1 256 . 1 1 23 23 ALA HA H 1 4.213 0.026 . 1 . . . . 23 ALA HA . 18823 1 257 . 1 1 23 23 ALA HB1 H 1 1.589 0.023 . 1 . . . . 23 ALA HB1 . 18823 1 258 . 1 1 23 23 ALA HB2 H 1 1.589 0.023 . 1 . . . . 23 ALA HB2 . 18823 1 259 . 1 1 23 23 ALA HB3 H 1 1.589 0.023 . 1 . . . . 23 ALA HB3 . 18823 1 260 . 1 1 23 23 ALA C C 13 181.053 0.000 . 1 . . . . 23 ALA C . 18823 1 261 . 1 1 23 23 ALA CA C 13 54.786 0.000 . 1 . . . . 23 ALA CA . 18823 1 262 . 1 1 23 23 ALA CB C 13 19.764 0.100 . 1 . . . . 23 ALA CB . 18823 1 263 . 1 1 23 23 ALA N N 15 121.663 0.058 . 1 . . . . 23 ALA N . 18823 1 264 . 1 1 24 24 VAL H H 1 9.136 0.007 . 1 . . . . 24 VAL H . 18823 1 265 . 1 1 24 24 VAL HA H 1 3.562 0.018 . 1 . . . . 24 VAL HA . 18823 1 266 . 1 1 24 24 VAL HB H 1 2.730 0.013 . 1 . . . . 24 VAL HB . 18823 1 267 . 1 1 24 24 VAL HG11 H 1 1.288 0.028 . 2 . . . . 24 VAL HG11 . 18823 1 268 . 1 1 24 24 VAL HG12 H 1 1.288 0.028 . 2 . . . . 24 VAL HG12 . 18823 1 269 . 1 1 24 24 VAL HG13 H 1 1.288 0.028 . 2 . . . . 24 VAL HG13 . 18823 1 270 . 1 1 24 24 VAL HG21 H 1 1.233 0.034 . 2 . . . . 24 VAL HG21 . 18823 1 271 . 1 1 24 24 VAL HG22 H 1 1.233 0.034 . 2 . . . . 24 VAL HG22 . 18823 1 272 . 1 1 24 24 VAL HG23 H 1 1.233 0.034 . 2 . . . . 24 VAL HG23 . 18823 1 273 . 1 1 24 24 VAL C C 13 177.243 0.000 . 1 . . . . 24 VAL C . 18823 1 274 . 1 1 24 24 VAL CA C 13 68.171 0.046 . 1 . . . . 24 VAL CA . 18823 1 275 . 1 1 24 24 VAL CB C 13 31.837 0.065 . 1 . . . . 24 VAL CB . 18823 1 276 . 1 1 24 24 VAL CG1 C 13 23.976 0.160 . 2 . . . . 24 VAL CG1 . 18823 1 277 . 1 1 24 24 VAL CG2 C 13 22.569 0.000 . 2 . . . . 24 VAL CG2 . 18823 1 278 . 1 1 24 24 VAL N N 15 122.022 0.032 . 1 . . . . 24 VAL N . 18823 1 279 . 1 1 25 25 GLU H H 1 8.349 0.007 . 1 . . . . 25 GLU H . 18823 1 280 . 1 1 25 25 GLU HA H 1 3.979 0.021 . 1 . . . . 25 GLU HA . 18823 1 281 . 1 1 25 25 GLU HB2 H 1 2.276 0.026 . 1 . . . . 25 GLU HB2 . 18823 1 282 . 1 1 25 25 GLU HB3 H 1 2.273 0.028 . 1 . . . . 25 GLU HB3 . 18823 1 283 . 1 1 25 25 GLU HG2 H 1 2.412 0.018 . 1 . . . . 25 GLU HG2 . 18823 1 284 . 1 1 25 25 GLU HG3 H 1 2.413 0.016 . 1 . . . . 25 GLU HG3 . 18823 1 285 . 1 1 25 25 GLU C C 13 179.616 0.000 . 1 . . . . 25 GLU C . 18823 1 286 . 1 1 25 25 GLU CA C 13 60.829 0.128 . 1 . . . . 25 GLU CA . 18823 1 287 . 1 1 25 25 GLU CB C 13 28.124 0.067 . 1 . . . . 25 GLU CB . 18823 1 288 . 1 1 25 25 GLU CG C 13 38.006 0.117 . 1 . . . . 25 GLU CG . 18823 1 289 . 1 1 25 25 GLU N N 15 118.871 0.107 . 1 . . . . 25 GLU N . 18823 1 290 . 1 1 26 26 LEU H H 1 8.012 0.011 . 1 . . . . 26 LEU H . 18823 1 291 . 1 1 26 26 LEU HA H 1 4.245 0.028 . 1 . . . . 26 LEU HA . 18823 1 292 . 1 1 26 26 LEU HB2 H 1 1.639 0.013 . 2 . . . . 26 LEU HB2 . 18823 1 293 . 1 1 26 26 LEU HB3 H 1 1.766 0.026 . 2 . . . . 26 LEU HB3 . 18823 1 294 . 1 1 26 26 LEU HG H 1 1.646 0.021 . 1 . . . . 26 LEU HG . 18823 1 295 . 1 1 26 26 LEU HD11 H 1 0.898 0.031 . 1 . . . . 26 LEU HD11 . 18823 1 296 . 1 1 26 26 LEU HD12 H 1 0.898 0.031 . 1 . . . . 26 LEU HD12 . 18823 1 297 . 1 1 26 26 LEU HD13 H 1 0.898 0.031 . 1 . . . . 26 LEU HD13 . 18823 1 298 . 1 1 26 26 LEU HD21 H 1 0.888 0.035 . 1 . . . . 26 LEU HD21 . 18823 1 299 . 1 1 26 26 LEU HD22 H 1 0.888 0.035 . 1 . . . . 26 LEU HD22 . 18823 1 300 . 1 1 26 26 LEU HD23 H 1 0.888 0.035 . 1 . . . . 26 LEU HD23 . 18823 1 301 . 1 1 26 26 LEU C C 13 178.548 0.000 . 1 . . . . 26 LEU C . 18823 1 302 . 1 1 26 26 LEU CA C 13 58.133 0.058 . 1 . . . . 26 LEU CA . 18823 1 303 . 1 1 26 26 LEU CB C 13 41.832 0.090 . 1 . . . . 26 LEU CB . 18823 1 304 . 1 1 26 26 LEU CG C 13 27.056 0.011 . 1 . . . . 26 LEU CG . 18823 1 305 . 1 1 26 26 LEU CD2 C 13 23.662 0.000 . 1 . . . . 26 LEU CD2 . 18823 1 306 . 1 1 26 26 LEU N N 15 119.120 0.064 . 1 . . . . 26 LEU N . 18823 1 307 . 1 1 27 27 CYS H H 1 8.223 0.012 . 1 . . . . 27 CYS H . 18823 1 308 . 1 1 27 27 CYS HA H 1 4.602 0.023 . 1 . . . . 27 CYS HA . 18823 1 309 . 1 1 27 27 CYS HB2 H 1 3.494 0.025 . 1 . . . . 27 CYS HB2 . 18823 1 310 . 1 1 27 27 CYS HB3 H 1 3.498 0.026 . 1 . . . . 27 CYS HB3 . 18823 1 311 . 1 1 27 27 CYS C C 13 176.054 0.000 . 1 . . . . 27 CYS C . 18823 1 312 . 1 1 27 27 CYS CA C 13 59.676 0.000 . 1 . . . . 27 CYS CA . 18823 1 313 . 1 1 27 27 CYS CB C 13 44.208 0.343 . 1 . . . . 27 CYS CB . 18823 1 314 . 1 1 27 27 CYS N N 15 120.645 0.050 . 1 . . . . 27 CYS N . 18823 1 315 . 1 1 28 28 ALA H H 1 8.842 0.005 . 1 . . . . 28 ALA H . 18823 1 316 . 1 1 28 28 ALA HA H 1 4.378 0.012 . 1 . . . . 28 ALA HA . 18823 1 317 . 1 1 28 28 ALA HB1 H 1 1.253 0.031 . 1 . . . . 28 ALA HB1 . 18823 1 318 . 1 1 28 28 ALA HB2 H 1 1.253 0.031 . 1 . . . . 28 ALA HB2 . 18823 1 319 . 1 1 28 28 ALA HB3 H 1 1.253 0.031 . 1 . . . . 28 ALA HB3 . 18823 1 320 . 1 1 28 28 ALA C C 13 180.505 0.000 . 1 . . . . 28 ALA C . 18823 1 321 . 1 1 28 28 ALA CA C 13 53.764 0.000 . 1 . . . . 28 ALA CA . 18823 1 322 . 1 1 28 28 ALA CB C 13 18.454 0.360 . 1 . . . . 28 ALA CB . 18823 1 323 . 1 1 28 28 ALA N N 15 124.064 0.037 . 1 . . . . 28 ALA N . 18823 1 324 . 1 1 29 29 LEU H H 1 7.790 0.028 . 1 . . . . 29 LEU H . 18823 1 325 . 1 1 29 29 LEU HA H 1 4.245 0.018 . 1 . . . . 29 LEU HA . 18823 1 326 . 1 1 29 29 LEU HB2 H 1 1.774 0.010 . 2 . . . . 29 LEU HB2 . 18823 1 327 . 1 1 29 29 LEU HB3 H 1 1.976 0.019 . 2 . . . . 29 LEU HB3 . 18823 1 328 . 1 1 29 29 LEU HG H 1 1.938 0.038 . 1 . . . . 29 LEU HG . 18823 1 329 . 1 1 29 29 LEU HD11 H 1 0.986 0.029 . 1 . . . . 29 LEU HD11 . 18823 1 330 . 1 1 29 29 LEU HD12 H 1 0.986 0.029 . 1 . . . . 29 LEU HD12 . 18823 1 331 . 1 1 29 29 LEU HD13 H 1 0.986 0.029 . 1 . . . . 29 LEU HD13 . 18823 1 332 . 1 1 29 29 LEU HD21 H 1 0.987 0.022 . 1 . . . . 29 LEU HD21 . 18823 1 333 . 1 1 29 29 LEU HD22 H 1 0.987 0.022 . 1 . . . . 29 LEU HD22 . 18823 1 334 . 1 1 29 29 LEU HD23 H 1 0.987 0.022 . 1 . . . . 29 LEU HD23 . 18823 1 335 . 1 1 29 29 LEU C C 13 179.982 0.000 . 1 . . . . 29 LEU C . 18823 1 336 . 1 1 29 29 LEU CA C 13 57.665 0.000 . 1 . . . . 29 LEU CA . 18823 1 337 . 1 1 29 29 LEU CB C 13 42.306 0.300 . 1 . . . . 29 LEU CB . 18823 1 338 . 1 1 29 29 LEU CG C 13 27.060 0.026 . 1 . . . . 29 LEU CG . 18823 1 339 . 1 1 29 29 LEU CD1 C 13 23.985 0.187 . 1 . . . . 29 LEU CD1 . 18823 1 340 . 1 1 29 29 LEU CD2 C 13 23.862 0.000 . 1 . . . . 29 LEU CD2 . 18823 1 341 . 1 1 29 29 LEU N N 15 117.489 0.146 . 1 . . . . 29 LEU N . 18823 1 342 . 1 1 30 30 GLU H H 1 8.263 0.017 . 1 . . . . 30 GLU H . 18823 1 343 . 1 1 30 30 GLU HA H 1 3.954 0.014 . 1 . . . . 30 GLU HA . 18823 1 344 . 1 1 30 30 GLU HB2 H 1 1.979 0.003 . 2 . . . . 30 GLU HB2 . 18823 1 345 . 1 1 30 30 GLU HB3 H 1 1.639 0.021 . 2 . . . . 30 GLU HB3 . 18823 1 346 . 1 1 30 30 GLU HG2 H 1 2.116 0.030 . 2 . . . . 30 GLU HG2 . 18823 1 347 . 1 1 30 30 GLU HG3 H 1 1.866 0.028 . 2 . . . . 30 GLU HG3 . 18823 1 348 . 1 1 30 30 GLU C C 13 178.172 0.000 . 1 . . . . 30 GLU C . 18823 1 349 . 1 1 30 30 GLU CA C 13 58.773 0.047 . 1 . . . . 30 GLU CA . 18823 1 350 . 1 1 30 30 GLU CB C 13 29.672 0.082 . 1 . . . . 30 GLU CB . 18823 1 351 . 1 1 30 30 GLU CG C 13 35.879 0.172 . 1 . . . . 30 GLU CG . 18823 1 352 . 1 1 30 30 GLU N N 15 118.328 0.183 . 1 . . . . 30 GLU N . 18823 1 353 . 1 1 31 31 HIS H H 1 8.113 0.013 . 1 . . . . 31 HIS H . 18823 1 354 . 1 1 31 31 HIS HA H 1 4.586 0.038 . 1 . . . . 31 HIS HA . 18823 1 355 . 1 1 31 31 HIS HB2 H 1 2.891 0.004 . 2 . . . . 31 HIS HB2 . 18823 1 356 . 1 1 31 31 HIS HB3 H 1 3.283 0.043 . 2 . . . . 31 HIS HB3 . 18823 1 357 . 1 1 31 31 HIS C C 13 175.194 0.000 . 1 . . . . 31 HIS C . 18823 1 358 . 1 1 31 31 HIS CA C 13 56.298 0.000 . 1 . . . . 31 HIS CA . 18823 1 359 . 1 1 31 31 HIS CB C 13 29.895 0.000 . 1 . . . . 31 HIS CB . 18823 1 360 . 1 1 31 31 HIS N N 15 112.234 0.045 . 1 . . . . 31 HIS N . 18823 1 361 . 1 1 32 32 GLY H H 1 7.941 0.011 . 1 . . . . 32 GLY H . 18823 1 362 . 1 1 32 32 GLY HA2 H 1 3.988 0.018 . 2 . . . . 32 GLY HA2 . 18823 1 363 . 1 1 32 32 GLY HA3 H 1 3.980 0.022 . 2 . . . . 32 GLY HA3 . 18823 1 364 . 1 1 32 32 GLY C C 13 173.523 0.000 . 1 . . . . 32 GLY C . 18823 1 365 . 1 1 32 32 GLY CA C 13 46.909 0.054 . 1 . . . . 32 GLY CA . 18823 1 366 . 1 1 32 32 GLY N N 15 111.652 0.055 . 1 . . . . 32 GLY N . 18823 1 367 . 1 1 33 33 GLY H H 1 7.685 0.022 . 1 . . . . 33 GLY H . 18823 1 368 . 1 1 33 33 GLY HA2 H 1 3.825 0.017 . 1 . . . . 33 GLY HA2 . 18823 1 369 . 1 1 33 33 GLY HA3 H 1 3.819 0.020 . 1 . . . . 33 GLY HA3 . 18823 1 370 . 1 1 33 33 GLY C C 13 173.700 0.000 . 1 . . . . 33 GLY C . 18823 1 371 . 1 1 33 33 GLY CA C 13 43.233 0.185 . 1 . . . . 33 GLY CA . 18823 1 372 . 1 1 33 33 GLY N N 15 106.236 0.056 . 1 . . . . 33 GLY N . 18823 1 373 . 1 1 34 34 LEU H H 1 7.764 0.022 . 1 . . . . 34 LEU H . 18823 1 374 . 1 1 34 34 LEU HA H 1 3.805 0.019 . 1 . . . . 34 LEU HA . 18823 1 375 . 1 1 34 34 LEU HB2 H 1 1.255 0.031 . 2 . . . . 34 LEU HB2 . 18823 1 376 . 1 1 34 34 LEU HB3 H 1 1.301 0.039 . 2 . . . . 34 LEU HB3 . 18823 1 377 . 1 1 34 34 LEU HG H 1 0.722 0.019 . 1 . . . . 34 LEU HG . 18823 1 378 . 1 1 34 34 LEU HD11 H 1 0.590 0.027 . 1 . . . . 34 LEU HD11 . 18823 1 379 . 1 1 34 34 LEU HD12 H 1 0.590 0.027 . 1 . . . . 34 LEU HD12 . 18823 1 380 . 1 1 34 34 LEU HD13 H 1 0.590 0.027 . 1 . . . . 34 LEU HD13 . 18823 1 381 . 1 1 34 34 LEU HD21 H 1 0.587 0.025 . 1 . . . . 34 LEU HD21 . 18823 1 382 . 1 1 34 34 LEU HD22 H 1 0.587 0.025 . 1 . . . . 34 LEU HD22 . 18823 1 383 . 1 1 34 34 LEU HD23 H 1 0.587 0.025 . 1 . . . . 34 LEU HD23 . 18823 1 384 . 1 1 34 34 LEU C C 13 178.706 0.000 . 1 . . . . 34 LEU C . 18823 1 385 . 1 1 34 34 LEU CA C 13 55.991 0.127 . 1 . . . . 34 LEU CA . 18823 1 386 . 1 1 34 34 LEU CB C 13 42.887 0.080 . 1 . . . . 34 LEU CB . 18823 1 387 . 1 1 34 34 LEU CG C 13 26.329 0.296 . 1 . . . . 34 LEU CG . 18823 1 388 . 1 1 34 34 LEU CD1 C 13 23.520 0.190 . 1 . . . . 34 LEU CD1 . 18823 1 389 . 1 1 34 34 LEU CD2 C 13 23.484 0.168 . 1 . . . . 34 LEU CD2 . 18823 1 390 . 1 1 34 34 LEU N N 15 117.370 0.179 . 1 . . . . 34 LEU N . 18823 1 391 . 1 1 35 35 ASP H H 1 7.861 0.017 . 1 . . . . 35 ASP H . 18823 1 392 . 1 1 35 35 ASP HA H 1 3.902 0.012 . 1 . . . . 35 ASP HA . 18823 1 393 . 1 1 35 35 ASP HB2 H 1 2.486 0.011 . 1 . . . . 35 ASP HB2 . 18823 1 394 . 1 1 35 35 ASP HB3 H 1 2.487 0.012 . 1 . . . . 35 ASP HB3 . 18823 1 395 . 1 1 35 35 ASP C C 13 175.974 0.000 . 1 . . . . 35 ASP C . 18823 1 396 . 1 1 35 35 ASP CA C 13 58.369 0.187 . 1 . . . . 35 ASP CA . 18823 1 397 . 1 1 35 35 ASP CB C 13 41.354 0.087 . 1 . . . . 35 ASP CB . 18823 1 398 . 1 1 35 35 ASP N N 15 116.675 0.073 . 1 . . . . 35 ASP N . 18823 1 399 . 1 1 36 36 THR H H 1 8.554 0.011 . 1 . . . . 36 THR H . 18823 1 400 . 1 1 36 36 THR HA H 1 4.444 0.008 . 1 . . . . 36 THR HA . 18823 1 401 . 1 1 36 36 THR HB H 1 4.173 0.014 . 1 . . . . 36 THR HB . 18823 1 402 . 1 1 36 36 THR HG21 H 1 0.923 0.023 . 1 . . . . 36 THR HG21 . 18823 1 403 . 1 1 36 36 THR HG22 H 1 0.923 0.023 . 1 . . . . 36 THR HG22 . 18823 1 404 . 1 1 36 36 THR HG23 H 1 0.923 0.023 . 1 . . . . 36 THR HG23 . 18823 1 405 . 1 1 36 36 THR C C 13 176.326 0.000 . 1 . . . . 36 THR C . 18823 1 406 . 1 1 36 36 THR CA C 13 60.784 0.000 . 1 . . . . 36 THR CA . 18823 1 407 . 1 1 36 36 THR CB C 13 68.519 0.125 . 1 . . . . 36 THR CB . 18823 1 408 . 1 1 36 36 THR CG2 C 13 21.207 0.149 . 1 . . . . 36 THR CG2 . 18823 1 409 . 1 1 36 36 THR N N 15 106.475 0.106 . 1 . . . . 36 THR N . 18823 1 410 . 1 1 37 37 CYS H H 1 7.584 0.009 . 1 . . . . 37 CYS H . 18823 1 411 . 1 1 37 37 CYS HA H 1 4.573 0.012 . 1 . . . . 37 CYS HA . 18823 1 412 . 1 1 37 37 CYS HB2 H 1 2.991 0.011 . 2 . . . . 37 CYS HB2 . 18823 1 413 . 1 1 37 37 CYS HB3 H 1 2.692 0.026 . 2 . . . . 37 CYS HB3 . 18823 1 414 . 1 1 37 37 CYS C C 13 172.970 0.000 . 1 . . . . 37 CYS C . 18823 1 415 . 1 1 37 37 CYS CA C 13 52.727 0.000 . 1 . . . . 37 CYS CA . 18823 1 416 . 1 1 37 37 CYS CB C 13 36.648 0.234 . 1 . . . . 37 CYS CB . 18823 1 417 . 1 1 37 37 CYS N N 15 122.313 0.091 . 1 . . . . 37 CYS N . 18823 1 418 . 1 1 38 38 ASP H H 1 7.489 0.010 . 1 . . . . 38 ASP H . 18823 1 419 . 1 1 38 38 ASP HA H 1 4.960 0.032 . 1 . . . . 38 ASP HA . 18823 1 420 . 1 1 38 38 ASP HB2 H 1 2.835 0.020 . 2 . . . . 38 ASP HB2 . 18823 1 421 . 1 1 38 38 ASP HB3 H 1 2.304 0.028 . 2 . . . . 38 ASP HB3 . 18823 1 422 . 1 1 38 38 ASP C C 13 176.313 0.000 . 1 . . . . 38 ASP C . 18823 1 423 . 1 1 38 38 ASP CA C 13 52.050 0.000 . 1 . . . . 38 ASP CA . 18823 1 424 . 1 1 38 38 ASP CB C 13 43.285 0.098 . 1 . . . . 38 ASP CB . 18823 1 425 . 1 1 38 38 ASP N N 15 123.325 0.047 . 1 . . . . 38 ASP N . 18823 1 426 . 1 1 39 39 GLY H H 1 8.562 0.010 . 1 . . . . 39 GLY H . 18823 1 427 . 1 1 39 39 GLY HA2 H 1 3.724 0.029 . 1 . . . . 39 GLY HA2 . 18823 1 428 . 1 1 39 39 GLY HA3 H 1 3.718 0.028 . 1 . . . . 39 GLY HA3 . 18823 1 429 . 1 1 39 39 GLY C C 13 173.993 0.000 . 1 . . . . 39 GLY C . 18823 1 430 . 1 1 39 39 GLY CA C 13 46.296 0.271 . 1 . . . . 39 GLY CA . 18823 1 431 . 1 1 39 39 GLY N N 15 105.536 0.137 . 1 . . . . 39 GLY N . 18823 1 432 . 1 1 40 40 GLY H H 1 7.604 0.009 . 1 . . . . 40 GLY H . 18823 1 433 . 1 1 40 40 GLY HA2 H 1 3.699 0.017 . 2 . . . . 40 GLY HA2 . 18823 1 434 . 1 1 40 40 GLY HA3 H 1 4.276 0.032 . 2 . . . . 40 GLY HA3 . 18823 1 435 . 1 1 40 40 GLY C C 13 172.800 0.000 . 1 . . . . 40 GLY C . 18823 1 436 . 1 1 40 40 GLY CA C 13 46.083 0.231 . 1 . . . . 40 GLY CA . 18823 1 437 . 1 1 40 40 GLY N N 15 114.547 0.036 . 1 . . . . 40 GLY N . 18823 1 438 . 1 1 41 41 SER H H 1 8.210 0.012 . 1 . . . . 41 SER H . 18823 1 439 . 1 1 41 41 SER HA H 1 4.892 0.011 . 1 . . . . 41 SER HA . 18823 1 440 . 1 1 41 41 SER HB2 H 1 3.796 0.012 . 1 . . . . 41 SER HB2 . 18823 1 441 . 1 1 41 41 SER HB3 H 1 3.794 0.008 . 1 . . . . 41 SER HB3 . 18823 1 442 . 1 1 41 41 SER C C 13 173.384 0.000 . 1 . . . . 41 SER C . 18823 1 443 . 1 1 41 41 SER CA C 13 56.793 0.000 . 1 . . . . 41 SER CA . 18823 1 444 . 1 1 41 41 SER CB C 13 66.447 0.270 . 1 . . . . 41 SER CB . 18823 1 445 . 1 1 41 41 SER N N 15 115.232 0.028 . 1 . . . . 41 SER N . 18823 1 446 . 1 1 42 42 ASN H H 1 9.293 0.006 . 1 . . . . 42 ASN H . 18823 1 447 . 1 1 42 42 ASN HA H 1 4.451 0.011 . 1 . . . . 42 ASN HA . 18823 1 448 . 1 1 42 42 ASN HB2 H 1 2.850 0.010 . 2 . . . . 42 ASN HB2 . 18823 1 449 . 1 1 42 42 ASN HB3 H 1 2.669 0.018 . 2 . . . . 42 ASN HB3 . 18823 1 450 . 1 1 42 42 ASN HD21 H 1 6.568 0.006 . 1 . . . . 42 ASN HD21 . 18823 1 451 . 1 1 42 42 ASN HD22 H 1 6.651 0.007 . 1 . . . . 42 ASN HD22 . 18823 1 452 . 1 1 42 42 ASN C C 13 175.126 0.000 . 1 . . . . 42 ASN C . 18823 1 453 . 1 1 42 42 ASN CA C 13 54.954 0.000 . 1 . . . . 42 ASN CA . 18823 1 454 . 1 1 42 42 ASN CB C 13 38.138 0.200 . 1 . . . . 42 ASN CB . 18823 1 455 . 1 1 42 42 ASN N N 15 116.982 0.041 . 1 . . . . 42 ASN N . 18823 1 456 . 1 1 42 42 ASN ND2 N 15 114.107 0.116 . 1 . . . . 42 ASN ND2 . 18823 1 457 . 1 1 43 43 GLY H H 1 8.564 0.004 . 1 . . . . 43 GLY H . 18823 1 458 . 1 1 43 43 GLY HA2 H 1 4.103 0.020 . 2 . . . . 43 GLY HA2 . 18823 1 459 . 1 1 43 43 GLY HA3 H 1 3.523 0.018 . 2 . . . . 43 GLY HA3 . 18823 1 460 . 1 1 43 43 GLY C C 13 174.024 0.000 . 1 . . . . 43 GLY C . 18823 1 461 . 1 1 43 43 GLY CA C 13 45.308 0.084 . 1 . . . . 43 GLY CA . 18823 1 462 . 1 1 43 43 GLY N N 15 104.122 0.079 . 1 . . . . 43 GLY N . 18823 1 463 . 1 1 44 44 ILE H H 1 8.372 0.006 . 1 . . . . 44 ILE H . 18823 1 464 . 1 1 44 44 ILE HA H 1 4.223 0.027 . 1 . . . . 44 ILE HA . 18823 1 465 . 1 1 44 44 ILE HB H 1 2.468 0.019 . 1 . . . . 44 ILE HB . 18823 1 466 . 1 1 44 44 ILE HG12 H 1 1.723 0.019 . 2 . . . . 44 ILE HG12 . 18823 1 467 . 1 1 44 44 ILE HG13 H 1 0.727 0.008 . 2 . . . . 44 ILE HG13 . 18823 1 468 . 1 1 44 44 ILE HG21 H 1 1.255 0.021 . 1 . . . . 44 ILE HG21 . 18823 1 469 . 1 1 44 44 ILE HG22 H 1 1.255 0.021 . 1 . . . . 44 ILE HG22 . 18823 1 470 . 1 1 44 44 ILE HG23 H 1 1.255 0.021 . 1 . . . . 44 ILE HG23 . 18823 1 471 . 1 1 44 44 ILE HD11 H 1 0.844 0.018 . 1 . . . . 44 ILE HD11 . 18823 1 472 . 1 1 44 44 ILE HD12 H 1 0.844 0.018 . 1 . . . . 44 ILE HD12 . 18823 1 473 . 1 1 44 44 ILE HD13 H 1 0.844 0.018 . 1 . . . . 44 ILE HD13 . 18823 1 474 . 1 1 44 44 ILE CA C 13 58.180 0.059 . 1 . . . . 44 ILE CA . 18823 1 475 . 1 1 44 44 ILE CB C 13 37.599 0.026 . 1 . . . . 44 ILE CB . 18823 1 476 . 1 1 44 44 ILE CG1 C 13 26.814 0.268 . 1 . . . . 44 ILE CG1 . 18823 1 477 . 1 1 44 44 ILE CG2 C 13 17.711 0.034 . 1 . . . . 44 ILE CG2 . 18823 1 478 . 1 1 44 44 ILE CD1 C 13 15.277 0.175 . 1 . . . . 44 ILE CD1 . 18823 1 479 . 1 1 44 44 ILE N N 15 124.876 0.110 . 1 . . . . 44 ILE N . 18823 1 480 . 1 1 45 45 PRO HA H 1 4.359 0.034 . 1 . . . . 45 PRO HA . 18823 1 481 . 1 1 45 45 PRO HB2 H 1 1.715 0.016 . 2 . . . . 45 PRO HB2 . 18823 1 482 . 1 1 45 45 PRO HB3 H 1 2.280 0.012 . 2 . . . . 45 PRO HB3 . 18823 1 483 . 1 1 45 45 PRO HG2 H 1 2.279 0.004 . 2 . . . . 45 PRO HG2 . 18823 1 484 . 1 1 45 45 PRO HG3 H 1 1.234 0.019 . 2 . . . . 45 PRO HG3 . 18823 1 485 . 1 1 45 45 PRO HD2 H 1 3.870 0.029 . 2 . . . . 45 PRO HD2 . 18823 1 486 . 1 1 45 45 PRO HD3 H 1 3.012 0.012 . 2 . . . . 45 PRO HD3 . 18823 1 487 . 1 1 45 45 PRO C C 13 175.893 0.000 . 1 . . . . 45 PRO C . 18823 1 488 . 1 1 45 45 PRO CA C 13 62.950 0.101 . 1 . . . . 45 PRO CA . 18823 1 489 . 1 1 45 45 PRO CB C 13 31.066 0.133 . 1 . . . . 45 PRO CB . 18823 1 490 . 1 1 45 45 PRO CG C 13 26.897 0.056 . 1 . . . . 45 PRO CG . 18823 1 491 . 1 1 45 45 PRO CD C 13 50.904 0.097 . 1 . . . . 45 PRO CD . 18823 1 492 . 1 1 46 46 SER H H 1 8.513 0.006 . 1 . . . . 46 SER H . 18823 1 493 . 1 1 46 46 SER HA H 1 4.383 0.022 . 1 . . . . 46 SER HA . 18823 1 494 . 1 1 46 46 SER HB2 H 1 4.000 0.020 . 2 . . . . 46 SER HB2 . 18823 1 495 . 1 1 46 46 SER HB3 H 1 3.827 0.021 . 2 . . . . 46 SER HB3 . 18823 1 496 . 1 1 46 46 SER CA C 13 58.636 0.130 . 1 . . . . 46 SER CA . 18823 1 497 . 1 1 46 46 SER CB C 13 62.150 0.408 . 1 . . . . 46 SER CB . 18823 1 498 . 1 1 46 46 SER N N 15 115.972 0.035 . 1 . . . . 46 SER N . 18823 1 499 . 1 1 47 47 PRO HA H 1 4.046 0.012 . 1 . . . . 47 PRO HA . 18823 1 500 . 1 1 47 47 PRO HB2 H 1 2.140 0.024 . 2 . . . . 47 PRO HB2 . 18823 1 501 . 1 1 47 47 PRO HB3 H 1 2.141 0.021 . 2 . . . . 47 PRO HB3 . 18823 1 502 . 1 1 47 47 PRO HG2 H 1 2.293 0.026 . 2 . . . . 47 PRO HG2 . 18823 1 503 . 1 1 47 47 PRO HG3 H 1 1.904 0.032 . 2 . . . . 47 PRO HG3 . 18823 1 504 . 1 1 47 47 PRO HD2 H 1 3.859 0.034 . 2 . . . . 47 PRO HD2 . 18823 1 505 . 1 1 47 47 PRO HD3 H 1 3.615 0.033 . 2 . . . . 47 PRO HD3 . 18823 1 506 . 1 1 47 47 PRO C C 13 173.897 0.000 . 1 . . . . 47 PRO C . 18823 1 507 . 1 1 47 47 PRO CA C 13 64.464 0.105 . 1 . . . . 47 PRO CA . 18823 1 508 . 1 1 47 47 PRO CB C 13 33.720 0.000 . 1 . . . . 47 PRO CB . 18823 1 509 . 1 1 47 47 PRO CG C 13 28.157 0.200 . 1 . . . . 47 PRO CG . 18823 1 510 . 1 1 47 47 PRO CD C 13 50.951 0.079 . 1 . . . . 47 PRO CD . 18823 1 511 . 1 1 48 48 THR H H 1 7.306 0.011 . 1 . . . . 48 THR H . 18823 1 512 . 1 1 48 48 THR HA H 1 4.881 0.019 . 1 . . . . 48 THR HA . 18823 1 513 . 1 1 48 48 THR HB H 1 4.047 0.012 . 1 . . . . 48 THR HB . 18823 1 514 . 1 1 48 48 THR HG21 H 1 1.225 0.023 . 1 . . . . 48 THR HG21 . 18823 1 515 . 1 1 48 48 THR HG22 H 1 1.225 0.023 . 1 . . . . 48 THR HG22 . 18823 1 516 . 1 1 48 48 THR HG23 H 1 1.225 0.023 . 1 . . . . 48 THR HG23 . 18823 1 517 . 1 1 48 48 THR C C 13 171.972 0.000 . 1 . . . . 48 THR C . 18823 1 518 . 1 1 48 48 THR CA C 13 59.149 0.000 . 1 . . . . 48 THR CA . 18823 1 519 . 1 1 48 48 THR CB C 13 71.078 0.032 . 1 . . . . 48 THR CB . 18823 1 520 . 1 1 48 48 THR CG2 C 13 18.883 0.071 . 1 . . . . 48 THR CG2 . 18823 1 521 . 1 1 48 48 THR N N 15 118.805 0.029 . 1 . . . . 48 THR N . 18823 1 522 . 1 1 49 49 THR H H 1 7.975 0.003 . 1 . . . . 49 THR H . 18823 1 523 . 1 1 49 49 THR HA H 1 4.598 0.017 . 1 . . . . 49 THR HA . 18823 1 524 . 1 1 49 49 THR HB H 1 4.444 0.014 . 1 . . . . 49 THR HB . 18823 1 525 . 1 1 49 49 THR HG21 H 1 1.051 0.020 . 1 . . . . 49 THR HG21 . 18823 1 526 . 1 1 49 49 THR HG22 H 1 1.051 0.020 . 1 . . . . 49 THR HG22 . 18823 1 527 . 1 1 49 49 THR HG23 H 1 1.051 0.020 . 1 . . . . 49 THR HG23 . 18823 1 528 . 1 1 49 49 THR C C 13 173.622 0.000 . 1 . . . . 49 THR C . 18823 1 529 . 1 1 49 49 THR CA C 13 59.686 0.007 . 1 . . . . 49 THR CA . 18823 1 530 . 1 1 49 49 THR CB C 13 71.723 0.072 . 1 . . . . 49 THR CB . 18823 1 531 . 1 1 49 49 THR CG2 C 13 22.554 0.366 . 1 . . . . 49 THR CG2 . 18823 1 532 . 1 1 49 49 THR N N 15 109.960 0.043 . 1 . . . . 49 THR N . 18823 1 533 . 1 1 50 50 THR H H 1 9.136 0.002 . 1 . . . . 50 THR H . 18823 1 534 . 1 1 50 50 THR HA H 1 4.838 0.010 . 1 . . . . 50 THR HA . 18823 1 535 . 1 1 50 50 THR HB H 1 4.719 0.022 . 1 . . . . 50 THR HB . 18823 1 536 . 1 1 50 50 THR HG21 H 1 1.200 0.018 . 1 . . . . 50 THR HG21 . 18823 1 537 . 1 1 50 50 THR HG22 H 1 1.200 0.018 . 1 . . . . 50 THR HG22 . 18823 1 538 . 1 1 50 50 THR HG23 H 1 1.200 0.018 . 1 . . . . 50 THR HG23 . 18823 1 539 . 1 1 50 50 THR C C 13 174.673 0.000 . 1 . . . . 50 THR C . 18823 1 540 . 1 1 50 50 THR CA C 13 59.529 0.000 . 1 . . . . 50 THR CA . 18823 1 541 . 1 1 50 50 THR CB C 13 72.601 0.000 . 1 . . . . 50 THR CB . 18823 1 542 . 1 1 50 50 THR CG2 C 13 22.389 0.304 . 1 . . . . 50 THR CG2 . 18823 1 543 . 1 1 50 50 THR N N 15 112.437 0.023 . 1 . . . . 50 THR N . 18823 1 544 . 1 1 51 51 ARG H H 1 8.571 0.008 . 1 . . . . 51 ARG H . 18823 1 545 . 1 1 51 51 ARG HA H 1 3.785 0.015 . 1 . . . . 51 ARG HA . 18823 1 546 . 1 1 51 51 ARG HB2 H 1 1.563 0.010 . 2 . . . . 51 ARG HB2 . 18823 1 547 . 1 1 51 51 ARG HB3 H 1 1.064 0.027 . 2 . . . . 51 ARG HB3 . 18823 1 548 . 1 1 51 51 ARG HG2 H 1 0.957 0.048 . 2 . . . . 51 ARG HG2 . 18823 1 549 . 1 1 51 51 ARG HG3 H 1 0.588 0.015 . 2 . . . . 51 ARG HG3 . 18823 1 550 . 1 1 51 51 ARG HD2 H 1 2.820 0.025 . 2 . . . . 51 ARG HD2 . 18823 1 551 . 1 1 51 51 ARG HD3 H 1 2.745 0.028 . 2 . . . . 51 ARG HD3 . 18823 1 552 . 1 1 51 51 ARG C C 13 176.005 0.000 . 1 . . . . 51 ARG C . 18823 1 553 . 1 1 51 51 ARG CA C 13 58.903 0.134 . 1 . . . . 51 ARG CA . 18823 1 554 . 1 1 51 51 ARG CB C 13 30.015 0.093 . 1 . . . . 51 ARG CB . 18823 1 555 . 1 1 51 51 ARG CG C 13 25.971 0.112 . 1 . . . . 51 ARG CG . 18823 1 556 . 1 1 51 51 ARG CD C 13 43.524 0.120 . 1 . . . . 51 ARG CD . 18823 1 557 . 1 1 51 51 ARG N N 15 118.333 0.029 . 1 . . . . 51 ARG N . 18823 1 558 . 1 1 52 52 TYR H H 1 7.450 0.015 . 1 . . . . 52 TYR H . 18823 1 559 . 1 1 52 52 TYR HA H 1 4.753 0.000 . 1 . . . . 52 TYR HA . 18823 1 560 . 1 1 52 52 TYR HB2 H 1 3.477 0.024 . 2 . . . . 52 TYR HB2 . 18823 1 561 . 1 1 52 52 TYR HB3 H 1 2.548 0.015 . 2 . . . . 52 TYR HB3 . 18823 1 562 . 1 1 52 52 TYR HD1 H 1 6.881 0.015 . 3 . . . . 52 TYR HD1 . 18823 1 563 . 1 1 52 52 TYR HD2 H 1 6.881 0.015 . 3 . . . . 52 TYR HD2 . 18823 1 564 . 1 1 52 52 TYR HE1 H 1 6.888 0.015 . 3 . . . . 52 TYR HE1 . 18823 1 565 . 1 1 52 52 TYR HE2 H 1 6.888 0.015 . 3 . . . . 52 TYR HE2 . 18823 1 566 . 1 1 52 52 TYR C C 13 174.575 0.000 . 1 . . . . 52 TYR C . 18823 1 567 . 1 1 52 52 TYR CA C 13 57.745 0.000 . 1 . . . . 52 TYR CA . 18823 1 568 . 1 1 52 52 TYR CB C 13 40.512 0.146 . 1 . . . . 52 TYR CB . 18823 1 569 . 1 1 52 52 TYR N N 15 111.232 0.020 . 1 . . . . 52 TYR N . 18823 1 570 . 1 1 53 53 VAL H H 1 7.553 0.010 . 1 . . . . 53 VAL H . 18823 1 571 . 1 1 53 53 VAL HA H 1 4.829 0.006 . 1 . . . . 53 VAL HA . 18823 1 572 . 1 1 53 53 VAL HB H 1 2.272 0.017 . 1 . . . . 53 VAL HB . 18823 1 573 . 1 1 53 53 VAL HG11 H 1 0.923 0.016 . 1 . . . . 53 VAL HG11 . 18823 1 574 . 1 1 53 53 VAL HG12 H 1 0.923 0.016 . 1 . . . . 53 VAL HG12 . 18823 1 575 . 1 1 53 53 VAL HG13 H 1 0.923 0.016 . 1 . . . . 53 VAL HG13 . 18823 1 576 . 1 1 53 53 VAL HG21 H 1 0.930 0.017 . 1 . . . . 53 VAL HG21 . 18823 1 577 . 1 1 53 53 VAL HG22 H 1 0.930 0.017 . 1 . . . . 53 VAL HG22 . 18823 1 578 . 1 1 53 53 VAL HG23 H 1 0.930 0.017 . 1 . . . . 53 VAL HG23 . 18823 1 579 . 1 1 53 53 VAL CA C 13 60.926 0.000 . 1 . . . . 53 VAL CA . 18823 1 580 . 1 1 53 53 VAL CB C 13 33.509 0.163 . 1 . . . . 53 VAL CB . 18823 1 581 . 1 1 53 53 VAL CG1 C 13 22.995 0.000 . 2 . . . . 53 VAL CG1 . 18823 1 582 . 1 1 53 53 VAL CG2 C 13 22.316 0.164 . 2 . . . . 53 VAL CG2 . 18823 1 583 . 1 1 53 53 VAL N N 15 121.267 0.073 . 1 . . . . 53 VAL N . 18823 1 584 . 1 1 54 54 SER H H 1 8.820 0.009 . 1 . . . . 54 SER H . 18823 1 585 . 1 1 54 54 SER HA H 1 4.241 0.021 . 1 . . . . 54 SER HA . 18823 1 586 . 1 1 54 54 SER HB2 H 1 3.814 0.022 . 2 . . . . 54 SER HB2 . 18823 1 587 . 1 1 54 54 SER HB3 H 1 3.416 0.013 . 2 . . . . 54 SER HB3 . 18823 1 588 . 1 1 54 54 SER C C 13 174.851 0.000 . 1 . . . . 54 SER C . 18823 1 589 . 1 1 54 54 SER CA C 13 58.627 0.000 . 1 . . . . 54 SER CA . 18823 1 590 . 1 1 54 54 SER CB C 13 63.198 0.276 . 1 . . . . 54 SER CB . 18823 1 591 . 1 1 54 54 SER N N 15 119.695 0.045 . 1 . . . . 54 SER N . 18823 1 592 . 1 1 55 55 ALA H H 1 7.503 0.019 . 1 . . . . 55 ALA H . 18823 1 593 . 1 1 55 55 ALA HA H 1 4.561 0.032 . 1 . . . . 55 ALA HA . 18823 1 594 . 1 1 55 55 ALA HB1 H 1 1.302 0.036 . 1 . . . . 55 ALA HB1 . 18823 1 595 . 1 1 55 55 ALA HB2 H 1 1.302 0.036 . 1 . . . . 55 ALA HB2 . 18823 1 596 . 1 1 55 55 ALA HB3 H 1 1.302 0.036 . 1 . . . . 55 ALA HB3 . 18823 1 597 . 1 1 55 55 ALA C C 13 177.725 0.000 . 1 . . . . 55 ALA C . 18823 1 598 . 1 1 55 55 ALA CA C 13 51.774 0.094 . 1 . . . . 55 ALA CA . 18823 1 599 . 1 1 55 55 ALA CB C 13 21.410 0.134 . 1 . . . . 55 ALA CB . 18823 1 600 . 1 1 55 55 ALA N N 15 121.700 0.046 . 1 . . . . 55 ALA N . 18823 1 601 . 1 1 56 56 MET H H 1 8.411 0.006 . 1 . . . . 56 MET H . 18823 1 602 . 1 1 56 56 MET HA H 1 5.407 0.015 . 1 . . . . 56 MET HA . 18823 1 603 . 1 1 56 56 MET HB2 H 1 2.099 0.031 . 1 . . . . 56 MET HB2 . 18823 1 604 . 1 1 56 56 MET HB3 H 1 2.100 0.037 . 1 . . . . 56 MET HB3 . 18823 1 605 . 1 1 56 56 MET HG2 H 1 2.126 0.028 . 2 . . . . 56 MET HG2 . 18823 1 606 . 1 1 56 56 MET HG3 H 1 2.653 0.020 . 2 . . . . 56 MET HG3 . 18823 1 607 . 1 1 56 56 MET C C 13 174.004 0.000 . 1 . . . . 56 MET C . 18823 1 608 . 1 1 56 56 MET CA C 13 54.755 0.188 . 1 . . . . 56 MET CA . 18823 1 609 . 1 1 56 56 MET CB C 13 36.828 0.180 . 1 . . . . 56 MET CB . 18823 1 610 . 1 1 56 56 MET CG C 13 31.193 0.124 . 1 . . . . 56 MET CG . 18823 1 611 . 1 1 56 56 MET N N 15 116.163 0.138 . 1 . . . . 56 MET N . 18823 1 612 . 1 1 57 57 SER H H 1 8.747 0.006 . 1 . . . . 57 SER H . 18823 1 613 . 1 1 57 57 SER HA H 1 4.645 0.024 . 1 . . . . 57 SER HA . 18823 1 614 . 1 1 57 57 SER HB2 H 1 3.819 0.000 . 2 . . . . 57 SER HB2 . 18823 1 615 . 1 1 57 57 SER HB3 H 1 3.795 0.039 . 1 . . . . 57 SER HB3 . 18823 1 616 . 1 1 57 57 SER C C 13 173.169 0.000 . 1 . . . . 57 SER C . 18823 1 617 . 1 1 57 57 SER CA C 13 56.884 0.000 . 1 . . . . 57 SER CA . 18823 1 618 . 1 1 57 57 SER CB C 13 66.319 0.203 . 1 . . . . 57 SER CB . 18823 1 619 . 1 1 57 57 SER N N 15 112.389 0.037 . 1 . . . . 57 SER N . 18823 1 620 . 1 1 58 58 VAL H H 1 8.982 0.009 . 1 . . . . 58 VAL H . 18823 1 621 . 1 1 58 58 VAL HA H 1 5.133 0.016 . 1 . . . . 58 VAL HA . 18823 1 622 . 1 1 58 58 VAL HB H 1 1.812 0.010 . 1 . . . . 58 VAL HB . 18823 1 623 . 1 1 58 58 VAL HG11 H 1 0.918 0.017 . 2 . . . . 58 VAL HG11 . 18823 1 624 . 1 1 58 58 VAL HG12 H 1 0.918 0.017 . 2 . . . . 58 VAL HG12 . 18823 1 625 . 1 1 58 58 VAL HG13 H 1 0.918 0.017 . 2 . . . . 58 VAL HG13 . 18823 1 626 . 1 1 58 58 VAL HG21 H 1 0.824 0.037 . 2 . . . . 58 VAL HG21 . 18823 1 627 . 1 1 58 58 VAL HG22 H 1 0.824 0.037 . 2 . . . . 58 VAL HG22 . 18823 1 628 . 1 1 58 58 VAL HG23 H 1 0.824 0.037 . 2 . . . . 58 VAL HG23 . 18823 1 629 . 1 1 58 58 VAL C C 13 175.228 0.000 . 1 . . . . 58 VAL C . 18823 1 630 . 1 1 58 58 VAL CA C 13 61.454 0.093 . 1 . . . . 58 VAL CA . 18823 1 631 . 1 1 58 58 VAL CB C 13 34.032 0.254 . 1 . . . . 58 VAL CB . 18823 1 632 . 1 1 58 58 VAL CG1 C 13 20.822 0.000 . 2 . . . . 58 VAL CG1 . 18823 1 633 . 1 1 58 58 VAL CG2 C 13 21.473 0.000 . 2 . . . . 58 VAL CG2 . 18823 1 634 . 1 1 58 58 VAL N N 15 121.147 0.060 . 1 . . . . 58 VAL N . 18823 1 635 . 1 1 59 59 ALA H H 1 8.834 0.007 . 1 . . . . 59 ALA H . 18823 1 636 . 1 1 59 59 ALA HA H 1 5.138 0.008 . 1 . . . . 59 ALA HA . 18823 1 637 . 1 1 59 59 ALA HB1 H 1 1.264 0.017 . 1 . . . . 59 ALA HB1 . 18823 1 638 . 1 1 59 59 ALA HB2 H 1 1.264 0.017 . 1 . . . . 59 ALA HB2 . 18823 1 639 . 1 1 59 59 ALA HB3 H 1 1.264 0.017 . 1 . . . . 59 ALA HB3 . 18823 1 640 . 1 1 59 59 ALA C C 13 176.560 0.000 . 1 . . . . 59 ALA C . 18823 1 641 . 1 1 59 59 ALA CA C 13 50.915 0.000 . 1 . . . . 59 ALA CA . 18823 1 642 . 1 1 59 59 ALA CB C 13 20.354 0.319 . 1 . . . . 59 ALA CB . 18823 1 643 . 1 1 59 59 ALA N N 15 132.415 0.025 . 1 . . . . 59 ALA N . 18823 1 644 . 1 1 60 60 LYS H H 1 9.809 0.002 . 1 . . . . 60 Lys H . 18823 1 645 . 1 1 60 60 LYS HA H 1 3.662 0.009 . 1 . . . . 60 Lys HA . 18823 1 646 . 1 1 60 60 LYS HB2 H 1 1.879 0.017 . 1 . . . . 60 Lys HB2 . 18823 1 647 . 1 1 60 60 LYS HB3 H 1 1.873 0.018 . 1 . . . . 60 Lys HB3 . 18823 1 648 . 1 1 60 60 LYS HG2 H 1 1.371 0.028 . 2 . . . . 60 Lys HG2 . 18823 1 649 . 1 1 60 60 LYS HG3 H 1 1.306 0.021 . 2 . . . . 60 Lys HG3 . 18823 1 650 . 1 1 60 60 LYS HD2 H 1 1.604 0.036 . 1 . . . . 60 Lys HD2 . 18823 1 651 . 1 1 60 60 LYS HD3 H 1 1.604 0.036 . 1 . . . . 60 Lys HD3 . 18823 1 652 . 1 1 60 60 LYS HE2 H 1 2.710 0.026 . 2 . . . . 60 Lys HE2 . 18823 1 653 . 1 1 60 60 LYS HE3 H 1 2.962 0.022 . 2 . . . . 60 Lys HE3 . 18823 1 654 . 1 1 60 60 LYS C C 13 175.365 0.000 . 1 . . . . 60 Lys C . 18823 1 655 . 1 1 60 60 LYS CA C 13 57.142 0.077 . 1 . . . . 60 Lys CA . 18823 1 656 . 1 1 60 60 LYS CB C 13 29.697 0.162 . 1 . . . . 60 Lys CB . 18823 1 657 . 1 1 60 60 LYS CG C 13 25.218 0.280 . 1 . . . . 60 Lys CG . 18823 1 658 . 1 1 60 60 LYS N N 15 127.417 0.037 . 1 . . . . 60 Lys N . 18823 1 659 . 1 1 61 61 GLY H H 1 8.120 0.009 . 1 . . . . 61 GLY H . 18823 1 660 . 1 1 61 61 GLY HA2 H 1 3.434 0.012 . 2 . . . . 61 GLY HA2 . 18823 1 661 . 1 1 61 61 GLY HA3 H 1 4.096 0.031 . 2 . . . . 61 GLY HA3 . 18823 1 662 . 1 1 61 61 GLY C C 13 180.829 0.000 . 1 . . . . 61 GLY C . 18823 1 663 . 1 1 61 61 GLY CA C 13 45.653 0.138 . 1 . . . . 61 GLY CA . 18823 1 664 . 1 1 61 61 GLY N N 15 101.581 0.042 . 1 . . . . 61 GLY N . 18823 1 665 . 1 1 62 62 VAL H H 1 7.644 0.011 . 1 . . . . 62 VAL H . 18823 1 666 . 1 1 62 62 VAL HA H 1 4.400 0.027 . 1 . . . . 62 VAL HA . 18823 1 667 . 1 1 62 62 VAL HB H 1 2.230 0.018 . 1 . . . . 62 VAL HB . 18823 1 668 . 1 1 62 62 VAL HG11 H 1 1.088 0.025 . 2 . . . . 62 VAL HG11 . 18823 1 669 . 1 1 62 62 VAL HG12 H 1 1.088 0.025 . 2 . . . . 62 VAL HG12 . 18823 1 670 . 1 1 62 62 VAL HG13 H 1 1.088 0.025 . 2 . . . . 62 VAL HG13 . 18823 1 671 . 1 1 62 62 VAL HG21 H 1 0.826 0.019 . 2 . . . . 62 VAL HG21 . 18823 1 672 . 1 1 62 62 VAL HG22 H 1 0.826 0.019 . 2 . . . . 62 VAL HG22 . 18823 1 673 . 1 1 62 62 VAL HG23 H 1 0.826 0.019 . 2 . . . . 62 VAL HG23 . 18823 1 674 . 1 1 62 62 VAL C C 13 178.376 0.000 . 1 . . . . 62 VAL C . 18823 1 675 . 1 1 62 62 VAL CA C 13 62.822 0.168 . 1 . . . . 62 VAL CA . 18823 1 676 . 1 1 62 62 VAL CB C 13 31.610 0.180 . 1 . . . . 62 VAL CB . 18823 1 677 . 1 1 62 62 VAL CG1 C 13 22.492 0.000 . 2 . . . . 62 VAL CG1 . 18823 1 678 . 1 1 62 62 VAL CG2 C 13 21.071 0.000 . 2 . . . . 62 VAL CG2 . 18823 1 679 . 1 1 62 62 VAL N N 15 118.072 0.024 . 1 . . . . 62 VAL N . 18823 1 680 . 1 1 63 63 VAL H H 1 9.315 0.006 . 1 . . . . 63 VAL H . 18823 1 681 . 1 1 63 63 VAL HA H 1 5.137 0.017 . 1 . . . . 63 VAL HA . 18823 1 682 . 1 1 63 63 VAL HB H 1 2.295 0.018 . 1 . . . . 63 VAL HB . 18823 1 683 . 1 1 63 63 VAL HG11 H 1 1.358 0.023 . 2 . . . . 63 VAL HG11 . 18823 1 684 . 1 1 63 63 VAL HG12 H 1 1.358 0.023 . 2 . . . . 63 VAL HG12 . 18823 1 685 . 1 1 63 63 VAL HG13 H 1 1.358 0.023 . 2 . . . . 63 VAL HG13 . 18823 1 686 . 1 1 63 63 VAL HG21 H 1 0.917 0.017 . 2 . . . . 63 VAL HG21 . 18823 1 687 . 1 1 63 63 VAL HG22 H 1 0.917 0.017 . 2 . . . . 63 VAL HG22 . 18823 1 688 . 1 1 63 63 VAL HG23 H 1 0.917 0.017 . 2 . . . . 63 VAL HG23 . 18823 1 689 . 1 1 63 63 VAL C C 13 174.223 0.000 . 1 . . . . 63 VAL C . 18823 1 690 . 1 1 63 63 VAL CA C 13 61.259 0.038 . 1 . . . . 63 VAL CA . 18823 1 691 . 1 1 63 63 VAL CB C 13 33.546 0.116 . 1 . . . . 63 VAL CB . 18823 1 692 . 1 1 63 63 VAL CG1 C 13 21.496 0.000 . 1 . . . . 63 VAL CG1 . 18823 1 693 . 1 1 63 63 VAL CG2 C 13 21.496 0.000 . 1 . . . . 63 VAL CG2 . 18823 1 694 . 1 1 63 63 VAL N N 15 132.194 0.044 . 1 . . . . 63 VAL N . 18823 1 695 . 1 1 64 64 SER H H 1 8.969 0.007 . 1 . . . . 64 SER H . 18823 1 696 . 1 1 64 64 SER HA H 1 5.604 0.016 . 1 . . . . 64 SER HA . 18823 1 697 . 1 1 64 64 SER HB2 H 1 3.715 0.039 . 1 . . . . 64 SER HB2 . 18823 1 698 . 1 1 64 64 SER HB3 H 1 3.715 0.044 . 1 . . . . 64 SER HB3 . 18823 1 699 . 1 1 64 64 SER C C 13 173.710 0.000 . 1 . . . . 64 SER C . 18823 1 700 . 1 1 64 64 SER CA C 13 56.394 0.141 . 1 . . . . 64 SER CA . 18823 1 701 . 1 1 64 64 SER CB C 13 64.231 0.228 . 1 . . . . 64 SER CB . 18823 1 702 . 1 1 64 64 SER N N 15 122.646 0.059 . 1 . . . . 64 SER N . 18823 1 703 . 1 1 65 65 LEU H H 1 9.452 0.006 . 1 . . . . 65 LEU H . 18823 1 704 . 1 1 65 65 LEU HA H 1 4.935 0.022 . 1 . . . . 65 LEU HA . 18823 1 705 . 1 1 65 65 LEU HB2 H 1 1.791 0.024 . 2 . . . . 65 LEU HB2 . 18823 1 706 . 1 1 65 65 LEU HB3 H 1 1.491 0.030 . 2 . . . . 65 LEU HB3 . 18823 1 707 . 1 1 65 65 LEU HG H 1 1.513 0.041 . 1 . . . . 65 LEU HG . 18823 1 708 . 1 1 65 65 LEU HD11 H 1 0.893 0.038 . 2 . . . . 65 LEU HD11 . 18823 1 709 . 1 1 65 65 LEU HD12 H 1 0.893 0.038 . 2 . . . . 65 LEU HD12 . 18823 1 710 . 1 1 65 65 LEU HD13 H 1 0.893 0.038 . 2 . . . . 65 LEU HD13 . 18823 1 711 . 1 1 65 65 LEU HD21 H 1 0.735 0.029 . 2 . . . . 65 LEU HD21 . 18823 1 712 . 1 1 65 65 LEU HD22 H 1 0.735 0.029 . 2 . . . . 65 LEU HD22 . 18823 1 713 . 1 1 65 65 LEU HD23 H 1 0.735 0.029 . 2 . . . . 65 LEU HD23 . 18823 1 714 . 1 1 65 65 LEU C C 13 175.231 0.000 . 1 . . . . 65 LEU C . 18823 1 715 . 1 1 65 65 LEU CA C 13 55.289 0.000 . 1 . . . . 65 LEU CA . 18823 1 716 . 1 1 65 65 LEU CB C 13 44.762 0.032 . 1 . . . . 65 LEU CB . 18823 1 717 . 1 1 65 65 LEU CG C 13 27.199 0.000 . 1 . . . . 65 LEU CG . 18823 1 718 . 1 1 65 65 LEU N N 15 123.662 0.029 . 1 . . . . 65 LEU N . 18823 1 719 . 1 1 66 66 THR H H 1 8.814 0.011 . 1 . . . . 66 THR H . 18823 1 720 . 1 1 66 66 THR HA H 1 4.596 0.031 . 1 . . . . 66 THR HA . 18823 1 721 . 1 1 66 66 THR HB H 1 4.047 0.019 . 1 . . . . 66 THR HB . 18823 1 722 . 1 1 66 66 THR HG21 H 1 1.247 0.028 . 1 . . . . 66 THR HG21 . 18823 1 723 . 1 1 66 66 THR HG22 H 1 1.247 0.028 . 1 . . . . 66 THR HG22 . 18823 1 724 . 1 1 66 66 THR HG23 H 1 1.247 0.028 . 1 . . . . 66 THR HG23 . 18823 1 725 . 1 1 66 66 THR C C 13 174.276 0.000 . 1 . . . . 66 THR C . 18823 1 726 . 1 1 66 66 THR CA C 13 62.549 0.000 . 1 . . . . 66 THR CA . 18823 1 727 . 1 1 66 66 THR CB C 13 70.094 0.171 . 1 . . . . 66 THR CB . 18823 1 728 . 1 1 66 66 THR CG2 C 13 21.756 0.212 . 1 . . . . 66 THR CG2 . 18823 1 729 . 1 1 66 66 THR N N 15 119.756 0.039 . 1 . . . . 66 THR N . 18823 1 730 . 1 1 67 67 GLY H H 1 9.183 0.009 . 1 . . . . 67 GLY H . 18823 1 731 . 1 1 67 67 GLY HA2 H 1 3.698 0.008 . 2 . . . . 67 GLY HA2 . 18823 1 732 . 1 1 67 67 GLY HA3 H 1 5.029 0.028 . 2 . . . . 67 GLY HA3 . 18823 1 733 . 1 1 67 67 GLY C C 13 173.374 0.000 . 1 . . . . 67 GLY C . 18823 1 734 . 1 1 67 67 GLY CA C 13 45.458 0.451 . 1 . . . . 67 GLY CA . 18823 1 735 . 1 1 67 67 GLY N N 15 113.603 0.042 . 1 . . . . 67 GLY N . 18823 1 736 . 1 1 68 68 GLN H H 1 7.941 0.010 . 1 . . . . 68 GLN H . 18823 1 737 . 1 1 68 68 GLN HA H 1 4.732 0.031 . 1 . . . . 68 GLN HA . 18823 1 738 . 1 1 68 68 GLN HB2 H 1 2.383 0.010 . 2 . . . . 68 GLN HB2 . 18823 1 739 . 1 1 68 68 GLN HB3 H 1 1.924 0.025 . 2 . . . . 68 GLN HB3 . 18823 1 740 . 1 1 68 68 GLN HG2 H 1 2.219 0.036 . 1 . . . . 68 GLN HG2 . 18823 1 741 . 1 1 68 68 GLN HG3 H 1 2.230 0.031 . 1 . . . . 68 GLN HG3 . 18823 1 742 . 1 1 68 68 GLN HE21 H 1 6.865 0.015 . 1 . . . . 68 GLN HE21 . 18823 1 743 . 1 1 68 68 GLN HE22 H 1 6.543 0.002 . 1 . . . . 68 GLN HE22 . 18823 1 744 . 1 1 68 68 GLN C C 13 174.675 0.000 . 1 . . . . 68 GLN C . 18823 1 745 . 1 1 68 68 GLN CA C 13 53.852 0.000 . 1 . . . . 68 GLN CA . 18823 1 746 . 1 1 68 68 GLN CB C 13 30.891 0.173 . 1 . . . . 68 GLN CB . 18823 1 747 . 1 1 68 68 GLN N N 15 116.858 0.068 . 1 . . . . 68 GLN N . 18823 1 748 . 1 1 68 68 GLN NE2 N 15 111.333 0.098 . 1 . . . . 68 GLN NE2 . 18823 1 749 . 1 1 69 69 GLU H H 1 9.292 0.008 . 1 . . . . 69 GLU H . 18823 1 750 . 1 1 69 69 GLU HA H 1 3.784 0.012 . 1 . . . . 69 GLU HA . 18823 1 751 . 1 1 69 69 GLU HB2 H 1 2.726 0.011 . 2 . . . . 69 GLU HB2 . 18823 1 752 . 1 1 69 69 GLU HB3 H 1 2.233 0.013 . 2 . . . . 69 GLU HB3 . 18823 1 753 . 1 1 69 69 GLU HG2 H 1 2.454 0.009 . 2 . . . . 69 GLU HG2 . 18823 1 754 . 1 1 69 69 GLU HG3 H 1 2.242 0.005 . 2 . . . . 69 GLU HG3 . 18823 1 755 . 1 1 69 69 GLU C C 13 178.514 0.000 . 1 . . . . 69 GLU C . 18823 1 756 . 1 1 69 69 GLU CA C 13 59.074 0.156 . 1 . . . . 69 GLU CA . 18823 1 757 . 1 1 69 69 GLU CB C 13 27.884 0.117 . 1 . . . . 69 GLU CB . 18823 1 758 . 1 1 69 69 GLU CG C 13 36.981 0.082 . 1 . . . . 69 GLU CG . 18823 1 759 . 1 1 69 69 GLU N N 15 123.320 0.038 . 1 . . . . 69 GLU N . 18823 1 760 . 1 1 70 70 SER H H 1 9.201 0.019 . 1 . . . . 70 SER H . 18823 1 761 . 1 1 70 70 SER HA H 1 4.286 0.026 . 1 . . . . 70 SER HA . 18823 1 762 . 1 1 70 70 SER HB2 H 1 3.814 0.024 . 2 . . . . 70 SER HB2 . 18823 1 763 . 1 1 70 70 SER HB3 H 1 3.968 0.036 . 2 . . . . 70 SER HB3 . 18823 1 764 . 1 1 70 70 SER C C 13 174.775 0.000 . 1 . . . . 70 SER C . 18823 1 765 . 1 1 70 70 SER CA C 13 61.203 0.000 . 1 . . . . 70 SER CA . 18823 1 766 . 1 1 70 70 SER CB C 13 62.946 0.207 . 1 . . . . 70 SER CB . 18823 1 767 . 1 1 70 70 SER N N 15 122.426 0.086 . 1 . . . . 70 SER N . 18823 1 768 . 1 1 71 71 LEU H H 1 7.839 0.020 . 1 . . . . 71 LEU H . 18823 1 769 . 1 1 71 71 LEU HA H 1 4.458 0.019 . 1 . . . . 71 LEU HA . 18823 1 770 . 1 1 71 71 LEU HB2 H 1 2.057 0.032 . 2 . . . . 71 LEU HB2 . 18823 1 771 . 1 1 71 71 LEU HB3 H 1 1.747 0.013 . 2 . . . . 71 LEU HB3 . 18823 1 772 . 1 1 71 71 LEU HG H 1 0.898 0.016 . 1 . . . . 71 LEU HG . 18823 1 773 . 1 1 71 71 LEU HD11 H 1 0.864 0.070 . 1 . . . . 71 LEU HD11 . 18823 1 774 . 1 1 71 71 LEU HD12 H 1 0.915 0.018 . 2 . . . . 71 LEU HD12 . 18823 1 775 . 1 1 71 71 LEU HD13 H 1 0.864 0.070 . 1 . . . . 71 LEU HD13 . 18823 1 776 . 1 1 71 71 LEU HD21 H 1 0.887 0.025 . 1 . . . . 71 LEU HD21 . 18823 1 777 . 1 1 71 71 LEU HD22 H 1 0.625 0.005 . 2 . . . . 71 LEU HD22 . 18823 1 778 . 1 1 71 71 LEU HD23 H 1 0.887 0.025 . 1 . . . . 71 LEU HD23 . 18823 1 779 . 1 1 71 71 LEU C C 13 175.085 0.000 . 1 . . . . 71 LEU C . 18823 1 780 . 1 1 71 71 LEU CA C 13 52.672 0.000 . 1 . . . . 71 LEU CA . 18823 1 781 . 1 1 71 71 LEU CB C 13 40.974 0.236 . 1 . . . . 71 LEU CB . 18823 1 782 . 1 1 71 71 LEU CG C 13 25.896 0.218 . 1 . . . . 71 LEU CG . 18823 1 783 . 1 1 71 71 LEU CD1 C 13 23.089 0.129 . 1 . . . . 71 LEU CD1 . 18823 1 784 . 1 1 71 71 LEU CD2 C 13 23.128 0.169 . 1 . . . . 71 LEU CD2 . 18823 1 785 . 1 1 71 71 LEU N N 15 117.213 0.304 . 1 . . . . 71 LEU N . 18823 1 786 . 1 1 72 72 ASN H H 1 7.427 0.005 . 1 . . . . 72 ASN H . 18823 1 787 . 1 1 72 72 ASN HA H 1 4.132 0.015 . 1 . . . . 72 ASN HA . 18823 1 788 . 1 1 72 72 ASN HB2 H 1 2.689 0.019 . 2 . . . . 72 ASN HB2 . 18823 1 789 . 1 1 72 72 ASN HB3 H 1 2.952 0.010 . 2 . . . . 72 ASN HB3 . 18823 1 790 . 1 1 72 72 ASN HD22 H 1 7.701 0.005 . 1 . . . . 72 ASN HD22 . 18823 1 791 . 1 1 72 72 ASN C C 13 175.659 0.000 . 1 . . . . 72 ASN C . 18823 1 792 . 1 1 72 72 ASN CA C 13 55.668 0.000 . 1 . . . . 72 ASN CA . 18823 1 793 . 1 1 72 72 ASN CB C 13 38.582 0.138 . 1 . . . . 72 ASN CB . 18823 1 794 . 1 1 72 72 ASN N N 15 113.275 0.058 . 1 . . . . 72 ASN N . 18823 1 795 . 1 1 73 73 GLY H H 1 8.800 0.007 . 1 . . . . 73 GLY H . 18823 1 796 . 1 1 73 73 GLY HA2 H 1 3.522 0.030 . 2 . . . . 73 GLY HA2 . 18823 1 797 . 1 1 73 73 GLY HA3 H 1 4.258 0.020 . 2 . . . . 73 GLY HA3 . 18823 1 798 . 1 1 73 73 GLY C C 13 173.217 0.000 . 1 . . . . 73 GLY C . 18823 1 799 . 1 1 73 73 GLY CA C 13 44.478 0.325 . 1 . . . . 73 GLY CA . 18823 1 800 . 1 1 73 73 GLY N N 15 115.098 0.040 . 1 . . . . 73 GLY N . 18823 1 801 . 1 1 74 74 LEU H H 1 8.013 0.014 . 1 . . . . 74 LEU H . 18823 1 802 . 1 1 74 74 LEU HA H 1 4.894 0.035 . 1 . . . . 74 LEU HA . 18823 1 803 . 1 1 74 74 LEU HB2 H 1 2.186 0.014 . 2 . . . . 74 LEU HB2 . 18823 1 804 . 1 1 74 74 LEU HB3 H 1 1.056 0.017 . 2 . . . . 74 LEU HB3 . 18823 1 805 . 1 1 74 74 LEU HG H 1 0.751 0.017 . 1 . . . . 74 LEU HG . 18823 1 806 . 1 1 74 74 LEU HD11 H 1 0.750 0.026 . 1 . . . . 74 LEU HD11 . 18823 1 807 . 1 1 74 74 LEU HD12 H 1 0.750 0.026 . 1 . . . . 74 LEU HD12 . 18823 1 808 . 1 1 74 74 LEU HD13 H 1 0.750 0.026 . 1 . . . . 74 LEU HD13 . 18823 1 809 . 1 1 74 74 LEU HD21 H 1 0.747 0.026 . 1 . . . . 74 LEU HD21 . 18823 1 810 . 1 1 74 74 LEU HD22 H 1 0.747 0.026 . 1 . . . . 74 LEU HD22 . 18823 1 811 . 1 1 74 74 LEU HD23 H 1 0.747 0.026 . 1 . . . . 74 LEU HD23 . 18823 1 812 . 1 1 74 74 LEU C C 13 175.327 0.000 . 1 . . . . 74 LEU C . 18823 1 813 . 1 1 74 74 LEU CA C 13 54.187 0.000 . 1 . . . . 74 LEU CA . 18823 1 814 . 1 1 74 74 LEU CB C 13 44.242 0.091 . 1 . . . . 74 LEU CB . 18823 1 815 . 1 1 74 74 LEU CG C 13 27.443 0.000 . 1 . . . . 74 LEU CG . 18823 1 816 . 1 1 74 74 LEU CD1 C 13 22.577 0.244 . 1 . . . . 74 LEU CD1 . 18823 1 817 . 1 1 74 74 LEU CD2 C 13 22.437 0.227 . 1 . . . . 74 LEU CD2 . 18823 1 818 . 1 1 74 74 LEU N N 15 122.245 0.045 . 1 . . . . 74 LEU N . 18823 1 819 . 1 1 75 75 SER H H 1 8.775 0.008 . 1 . . . . 75 SER H . 18823 1 820 . 1 1 75 75 SER HA H 1 5.330 0.007 . 1 . . . . 75 SER HA . 18823 1 821 . 1 1 75 75 SER HB2 H 1 3.758 0.011 . 1 . . . . 75 SER HB2 . 18823 1 822 . 1 1 75 75 SER HB3 H 1 3.757 0.010 . 1 . . . . 75 SER HB3 . 18823 1 823 . 1 1 75 75 SER C C 13 172.595 0.000 . 1 . . . . 75 SER C . 18823 1 824 . 1 1 75 75 SER CA C 13 56.770 0.104 . 1 . . . . 75 SER CA . 18823 1 825 . 1 1 75 75 SER CB C 13 65.294 0.123 . 1 . . . . 75 SER CB . 18823 1 826 . 1 1 75 75 SER N N 15 121.977 0.041 . 1 . . . . 75 SER N . 18823 1 827 . 1 1 76 76 VAL H H 1 8.976 0.011 . 1 . . . . 76 VAL H . 18823 1 828 . 1 1 76 76 VAL HA H 1 4.821 0.021 . 1 . . . . 76 VAL HA . 18823 1 829 . 1 1 76 76 VAL HB H 1 1.475 0.023 . 1 . . . . 76 VAL HB . 18823 1 830 . 1 1 76 76 VAL HG11 H 1 0.507 0.007 . 2 . . . . 76 VAL HG11 . 18823 1 831 . 1 1 76 76 VAL HG12 H 1 0.507 0.007 . 2 . . . . 76 VAL HG12 . 18823 1 832 . 1 1 76 76 VAL HG13 H 1 0.507 0.007 . 2 . . . . 76 VAL HG13 . 18823 1 833 . 1 1 76 76 VAL HG21 H 1 -0.135 0.006 . 2 . . . . 76 VAL HG21 . 18823 1 834 . 1 1 76 76 VAL HG22 H 1 -0.135 0.006 . 2 . . . . 76 VAL HG22 . 18823 1 835 . 1 1 76 76 VAL HG23 H 1 -0.135 0.006 . 2 . . . . 76 VAL HG23 . 18823 1 836 . 1 1 76 76 VAL C C 13 174.466 0.000 . 1 . . . . 76 VAL C . 18823 1 837 . 1 1 76 76 VAL CA C 13 60.866 0.000 . 1 . . . . 76 VAL CA . 18823 1 838 . 1 1 76 76 VAL CB C 13 34.123 0.091 . 1 . . . . 76 VAL CB . 18823 1 839 . 1 1 76 76 VAL CG1 C 13 22.302 0.052 . 2 . . . . 76 VAL CG1 . 18823 1 840 . 1 1 76 76 VAL CG2 C 13 20.185 0.000 . 2 . . . . 76 VAL CG2 . 18823 1 841 . 1 1 76 76 VAL N N 15 125.575 0.062 . 1 . . . . 76 VAL N . 18823 1 842 . 1 1 77 77 VAL H H 1 8.485 0.012 . 1 . . . . 77 VAL H . 18823 1 843 . 1 1 77 77 VAL HA H 1 4.703 0.026 . 1 . . . . 77 VAL HA . 18823 1 844 . 1 1 77 77 VAL HB H 1 1.809 0.021 . 1 . . . . 77 VAL HB . 18823 1 845 . 1 1 77 77 VAL HG11 H 1 0.819 0.027 . 2 . . . . 77 VAL HG11 . 18823 1 846 . 1 1 77 77 VAL HG12 H 1 0.819 0.027 . 2 . . . . 77 VAL HG12 . 18823 1 847 . 1 1 77 77 VAL HG13 H 1 0.819 0.027 . 2 . . . . 77 VAL HG13 . 18823 1 848 . 1 1 77 77 VAL HG21 H 1 0.743 0.032 . 2 . . . . 77 VAL HG21 . 18823 1 849 . 1 1 77 77 VAL HG22 H 1 0.743 0.032 . 2 . . . . 77 VAL HG22 . 18823 1 850 . 1 1 77 77 VAL HG23 H 1 0.743 0.032 . 2 . . . . 77 VAL HG23 . 18823 1 851 . 1 1 77 77 VAL C C 13 175.752 0.000 . 1 . . . . 77 VAL C . 18823 1 852 . 1 1 77 77 VAL CA C 13 61.534 0.000 . 1 . . . . 77 VAL CA . 18823 1 853 . 1 1 77 77 VAL CB C 13 34.221 0.120 . 1 . . . . 77 VAL CB . 18823 1 854 . 1 1 77 77 VAL CG1 C 13 21.020 0.000 . 2 . . . . 77 VAL CG1 . 18823 1 855 . 1 1 77 77 VAL CG2 C 13 20.672 0.238 . 2 . . . . 77 VAL CG2 . 18823 1 856 . 1 1 77 77 VAL N N 15 126.181 0.041 . 1 . . . . 77 VAL N . 18823 1 857 . 1 1 78 78 MET H H 1 9.628 0.006 . 1 . . . . 78 MET H . 18823 1 858 . 1 1 78 78 MET HA H 1 5.651 0.023 . 1 . . . . 78 MET HA . 18823 1 859 . 1 1 78 78 MET HB2 H 1 2.116 0.021 . 1 . . . . 78 MET HB2 . 18823 1 860 . 1 1 78 78 MET HB3 H 1 2.116 0.022 . 1 . . . . 78 MET HB3 . 18823 1 861 . 1 1 78 78 MET HG2 H 1 1.622 0.016 . 2 . . . . 78 MET HG2 . 18823 1 862 . 1 1 78 78 MET HG3 H 1 1.285 0.036 . 2 . . . . 78 MET HG3 . 18823 1 863 . 1 1 78 78 MET C C 13 175.004 0.000 . 1 . . . . 78 MET C . 18823 1 864 . 1 1 78 78 MET CA C 13 52.298 0.062 . 1 . . . . 78 MET CA . 18823 1 865 . 1 1 78 78 MET CB C 13 31.338 0.096 . 1 . . . . 78 MET CB . 18823 1 866 . 1 1 78 78 MET CG C 13 29.388 0.132 . 1 . . . . 78 MET CG . 18823 1 867 . 1 1 78 78 MET N N 15 130.950 0.044 . 1 . . . . 78 MET N . 18823 1 868 . 1 1 79 79 THR H H 1 9.040 0.011 . 1 . . . . 79 THR H . 18823 1 869 . 1 1 79 79 THR HB H 1 3.944 0.007 . 1 . . . . 79 THR HB . 18823 1 870 . 1 1 79 79 THR CA C 13 59.598 0.000 . 1 . . . . 79 THR CA . 18823 1 871 . 1 1 79 79 THR CB C 13 70.810 0.094 . 1 . . . . 79 THR CB . 18823 1 872 . 1 1 79 79 THR N N 15 121.242 0.096 . 1 . . . . 79 THR N . 18823 1 873 . 1 1 80 80 PRO HA H 1 4.062 0.022 . 1 . . . . 80 PRO HA . 18823 1 874 . 1 1 80 80 PRO HB2 H 1 1.067 0.023 . 2 . . . . 80 PRO HB2 . 18823 1 875 . 1 1 80 80 PRO HB3 H 1 -0.232 0.009 . 2 . . . . 80 PRO HB3 . 18823 1 876 . 1 1 80 80 PRO HG2 H 1 1.863 0.015 . 2 . . . . 80 PRO HG2 . 18823 1 877 . 1 1 80 80 PRO HG3 H 1 1.530 0.025 . 2 . . . . 80 PRO HG3 . 18823 1 878 . 1 1 80 80 PRO HD2 H 1 4.034 0.028 . 2 . . . . 80 PRO HD2 . 18823 1 879 . 1 1 80 80 PRO HD3 H 1 3.621 0.018 . 2 . . . . 80 PRO HD3 . 18823 1 880 . 1 1 80 80 PRO C C 13 175.686 0.000 . 1 . . . . 80 PRO C . 18823 1 881 . 1 1 80 80 PRO CA C 13 61.621 0.000 . 1 . . . . 80 PRO CA . 18823 1 882 . 1 1 80 80 PRO CB C 13 29.801 0.076 . 1 . . . . 80 PRO CB . 18823 1 883 . 1 1 80 80 PRO CG C 13 26.283 0.218 . 1 . . . . 80 PRO CG . 18823 1 884 . 1 1 80 80 PRO CD C 13 50.974 0.150 . 1 . . . . 80 PRO CD . 18823 1 885 . 1 1 81 81 GLY H H 1 8.343 0.004 . 1 . . . . 81 GLY H . 18823 1 886 . 1 1 81 81 GLY CA C 13 44.289 0.000 . 1 . . . . 81 GLY CA . 18823 1 887 . 1 1 81 81 GLY N N 15 109.999 0.023 . 1 . . . . 81 GLY N . 18823 1 888 . 1 1 82 82 TRP HD1 H 1 7.336 0.000 . 1 . . . . 82 TRP HD1 . 18823 1 889 . 1 1 82 82 TRP HE1 H 1 10.281 0.007 . 1 . . . . 82 TRP HE1 . 18823 1 890 . 1 1 82 82 TRP CB C 13 29.963 0.000 . 1 . . . . 82 TRP CB . 18823 1 891 . 1 1 82 82 TRP NE1 N 15 129.625 0.027 . 1 . . . . 82 TRP NE1 . 18823 1 892 . 1 1 84 84 ASN HA H 1 4.048 0.006 . 1 . . . . 84 ASN HA . 18823 1 893 . 1 1 84 84 ASN HB2 H 1 2.753 0.006 . 1 . . . . 84 ASN HB2 . 18823 1 894 . 1 1 84 84 ASN HB3 H 1 2.752 0.006 . 1 . . . . 84 ASN HB3 . 18823 1 895 . 1 1 84 84 ASN C C 13 175.771 0.000 . 1 . . . . 84 ASN C . 18823 1 896 . 1 1 84 84 ASN CA C 13 55.745 0.000 . 1 . . . . 84 ASN CA . 18823 1 897 . 1 1 84 84 ASN CB C 13 38.324 0.065 . 1 . . . . 84 ASN CB . 18823 1 898 . 1 1 85 85 ALA H H 1 8.057 0.005 . 1 . . . . 85 ALA H . 18823 1 899 . 1 1 85 85 ALA HA H 1 4.243 0.008 . 1 . . . . 85 ALA HA . 18823 1 900 . 1 1 85 85 ALA HB1 H 1 1.247 0.023 . 1 . . . . 85 ALA HB1 . 18823 1 901 . 1 1 85 85 ALA HB2 H 1 1.247 0.023 . 1 . . . . 85 ALA HB2 . 18823 1 902 . 1 1 85 85 ALA HB3 H 1 1.247 0.023 . 1 . . . . 85 ALA HB3 . 18823 1 903 . 1 1 85 85 ALA C C 13 178.703 0.000 . 1 . . . . 85 ALA C . 18823 1 904 . 1 1 85 85 ALA CA C 13 53.545 0.000 . 1 . . . . 85 ALA CA . 18823 1 905 . 1 1 85 85 ALA CB C 13 18.940 0.242 . 1 . . . . 85 ALA CB . 18823 1 906 . 1 1 85 85 ALA N N 15 120.346 0.041 . 1 . . . . 85 ALA N . 18823 1 907 . 1 1 86 86 ASN H H 1 8.166 0.022 . 1 . . . . 86 ASN H . 18823 1 908 . 1 1 86 86 ASN HA H 1 4.609 0.005 . 1 . . . . 86 ASN HA . 18823 1 909 . 1 1 86 86 ASN HB2 H 1 2.536 0.010 . 2 . . . . 86 ASN HB2 . 18823 1 910 . 1 1 86 86 ASN HB3 H 1 2.206 0.020 . 2 . . . . 86 ASN HB3 . 18823 1 911 . 1 1 86 86 ASN HD21 H 1 7.585 0.001 . 1 . . . . 86 ASN HD21 . 18823 1 912 . 1 1 86 86 ASN HD22 H 1 6.858 0.010 . 1 . . . . 86 ASN HD22 . 18823 1 913 . 1 1 86 86 ASN C C 13 174.934 0.000 . 1 . . . . 86 ASN C . 18823 1 914 . 1 1 86 86 ASN CA C 13 53.502 0.000 . 1 . . . . 86 ASN CA . 18823 1 915 . 1 1 86 86 ASN CB C 13 40.564 0.115 . 1 . . . . 86 ASN CB . 18823 1 916 . 1 1 86 86 ASN N N 15 113.214 0.000 . 1 . . . . 86 ASN N . 18823 1 917 . 1 1 86 86 ASN ND2 N 15 113.499 0.119 . 1 . . . . 86 ASN ND2 . 18823 1 918 . 1 1 87 87 GLY H H 1 7.884 0.004 . 1 . . . . 87 GLY H . 18823 1 919 . 1 1 87 87 GLY CA C 13 45.223 0.000 . 1 . . . . 87 GLY CA . 18823 1 920 . 1 1 87 87 GLY N N 15 111.400 0.034 . 1 . . . . 87 GLY N . 18823 1 921 . 1 1 88 88 VAL HA H 1 4.984 0.000 . 1 . . . . 88 VAL HA . 18823 1 922 . 1 1 88 88 VAL HB H 1 2.186 0.011 . 1 . . . . 88 VAL HB . 18823 1 923 . 1 1 88 88 VAL HG11 H 1 0.932 0.022 . 2 . . . . 88 VAL HG11 . 18823 1 924 . 1 1 88 88 VAL HG12 H 1 0.932 0.022 . 2 . . . . 88 VAL HG12 . 18823 1 925 . 1 1 88 88 VAL HG13 H 1 0.932 0.022 . 2 . . . . 88 VAL HG13 . 18823 1 926 . 1 1 88 88 VAL HG21 H 1 1.077 0.000 . 2 . . . . 88 VAL HG21 . 18823 1 927 . 1 1 88 88 VAL HG22 H 1 1.077 0.000 . 2 . . . . 88 VAL HG22 . 18823 1 928 . 1 1 88 88 VAL HG23 H 1 1.077 0.000 . 2 . . . . 88 VAL HG23 . 18823 1 929 . 1 1 89 89 THR H H 1 8.162 0.003 . 1 . . . . 89 THR H . 18823 1 930 . 1 1 89 89 THR HA H 1 4.681 0.006 . 1 . . . . 89 THR HA . 18823 1 931 . 1 1 89 89 THR HB H 1 4.196 0.013 . 1 . . . . 89 THR HB . 18823 1 932 . 1 1 89 89 THR CA C 13 61.704 0.000 . 1 . . . . 89 THR CA . 18823 1 933 . 1 1 89 89 THR CB C 13 68.851 0.000 . 1 . . . . 89 THR CB . 18823 1 934 . 1 1 89 89 THR N N 15 119.521 0.048 . 1 . . . . 89 THR N . 18823 1 935 . 1 1 90 90 GLY HA2 H 1 4.241 0.016 . 1 . . . . 90 GLY HA2 . 18823 1 936 . 1 1 90 90 GLY HA3 H 1 4.236 0.012 . 1 . . . . 90 GLY HA3 . 18823 1 937 . 1 1 90 90 GLY C C 13 181.221 0.000 . 1 . . . . 90 GLY C . 18823 1 938 . 1 1 90 90 GLY CA C 13 44.580 0.000 . 1 . . . . 90 GLY CA . 18823 1 939 . 1 1 91 91 TRP H H 1 8.345 0.015 . 1 . . . . 91 TRP H . 18823 1 940 . 1 1 91 91 TRP HA H 1 4.863 0.029 . 1 . . . . 91 TRP HA . 18823 1 941 . 1 1 91 91 TRP HB2 H 1 2.801 0.025 . 2 . . . . 91 TRP HB2 . 18823 1 942 . 1 1 91 91 TRP HB3 H 1 2.610 0.030 . 2 . . . . 91 TRP HB3 . 18823 1 943 . 1 1 91 91 TRP HD1 H 1 7.265 0.019 . 1 . . . . 91 TRP HD1 . 18823 1 944 . 1 1 91 91 TRP HE1 H 1 11.639 0.007 . 1 . . . . 91 TRP HE1 . 18823 1 945 . 1 1 91 91 TRP C C 13 174.696 0.000 . 1 . . . . 91 TRP C . 18823 1 946 . 1 1 91 91 TRP CA C 13 56.888 0.000 . 1 . . . . 91 TRP CA . 18823 1 947 . 1 1 91 91 TRP CB C 13 31.762 0.374 . 1 . . . . 91 TRP CB . 18823 1 948 . 1 1 91 91 TRP N N 15 117.838 0.080 . 1 . . . . 91 TRP N . 18823 1 949 . 1 1 91 91 TRP NE1 N 15 134.276 0.027 . 1 . . . . 91 TRP NE1 . 18823 1 950 . 1 1 92 92 ALA H H 1 8.966 0.010 . 1 . . . . 92 ALA H . 18823 1 951 . 1 1 92 92 ALA HA H 1 4.849 0.046 . 1 . . . . 92 ALA HA . 18823 1 952 . 1 1 92 92 ALA HB1 H 1 1.440 0.024 . 1 . . . . 92 ALA HB1 . 18823 1 953 . 1 1 92 92 ALA HB2 H 1 1.440 0.024 . 1 . . . . 92 ALA HB2 . 18823 1 954 . 1 1 92 92 ALA HB3 H 1 1.440 0.024 . 1 . . . . 92 ALA HB3 . 18823 1 955 . 1 1 92 92 ALA C C 13 176.196 0.000 . 1 . . . . 92 ALA C . 18823 1 956 . 1 1 92 92 ALA CA C 13 50.526 0.000 . 1 . . . . 92 ALA CA . 18823 1 957 . 1 1 92 92 ALA CB C 13 21.036 0.082 . 1 . . . . 92 ALA CB . 18823 1 958 . 1 1 92 92 ALA N N 15 126.382 0.046 . 1 . . . . 92 ALA N . 18823 1 959 . 1 1 93 93 ARG H H 1 8.614 0.017 . 1 . . . . 93 ARG H . 18823 1 960 . 1 1 93 93 ARG HA H 1 5.571 0.009 . 1 . . . . 93 ARG HA . 18823 1 961 . 1 1 93 93 ARG HB2 H 1 1.739 0.023 . 2 . . . . 93 ARG HB2 . 18823 1 962 . 1 1 93 93 ARG HB3 H 1 1.596 0.020 . 2 . . . . 93 ARG HB3 . 18823 1 963 . 1 1 93 93 ARG HG2 H 1 1.608 0.017 . 2 . . . . 93 ARG HG2 . 18823 1 964 . 1 1 93 93 ARG HG3 H 1 1.733 0.023 . 2 . . . . 93 ARG HG3 . 18823 1 965 . 1 1 93 93 ARG HD2 H 1 3.365 0.014 . 2 . . . . 93 ARG HD2 . 18823 1 966 . 1 1 93 93 ARG HD3 H 1 3.032 0.015 . 2 . . . . 93 ARG HD3 . 18823 1 967 . 1 1 93 93 ARG C C 13 175.269 0.000 . 1 . . . . 93 ARG C . 18823 1 968 . 1 1 93 93 ARG CA C 13 53.443 0.140 . 1 . . . . 93 ARG CA . 18823 1 969 . 1 1 93 93 ARG CB C 13 33.522 0.095 . 1 . . . . 93 ARG CB . 18823 1 970 . 1 1 93 93 ARG CG C 13 27.031 0.110 . 1 . . . . 93 ARG CG . 18823 1 971 . 1 1 93 93 ARG CD C 13 43.879 0.110 . 1 . . . . 93 ARG CD . 18823 1 972 . 1 1 93 93 ARG N N 15 119.119 0.045 . 1 . . . . 93 ARG N . 18823 1 973 . 1 1 94 94 ASN H H 1 8.520 0.020 . 1 . . . . 94 ASN H . 18823 1 974 . 1 1 94 94 ASN HA H 1 4.952 0.044 . 1 . . . . 94 ASN HA . 18823 1 975 . 1 1 94 94 ASN HB2 H 1 2.783 0.020 . 2 . . . . 94 ASN HB2 . 18823 1 976 . 1 1 94 94 ASN HB3 H 1 2.537 0.012 . 2 . . . . 94 ASN HB3 . 18823 1 977 . 1 1 94 94 ASN HD22 H 1 6.810 0.011 . 1 . . . . 94 ASN HD22 . 18823 1 978 . 1 1 94 94 ASN C C 13 173.905 0.000 . 1 . . . . 94 ASN C . 18823 1 979 . 1 1 94 94 ASN CA C 13 52.875 0.000 . 1 . . . . 94 ASN CA . 18823 1 980 . 1 1 94 94 ASN CB C 13 41.188 0.077 . 1 . . . . 94 ASN CB . 18823 1 981 . 1 1 94 94 ASN N N 15 123.014 0.030 . 1 . . . . 94 ASN N . 18823 1 982 . 1 1 94 94 ASN ND2 N 15 112.210 0.059 . 1 . . . . 94 ASN ND2 . 18823 1 983 . 1 1 95 95 CYS H H 1 9.302 0.005 . 1 . . . . 95 CYS H . 18823 1 984 . 1 1 95 95 CYS HA H 1 4.817 0.023 . 1 . . . . 95 CYS HA . 18823 1 985 . 1 1 95 95 CYS HB2 H 1 3.540 0.018 . 2 . . . . 95 CYS HB2 . 18823 1 986 . 1 1 95 95 CYS HB3 H 1 2.591 0.025 . 2 . . . . 95 CYS HB3 . 18823 1 987 . 1 1 95 95 CYS C C 13 172.689 0.000 . 1 . . . . 95 CYS C . 18823 1 988 . 1 1 95 95 CYS CA C 13 56.922 0.000 . 1 . . . . 95 CYS CA . 18823 1 989 . 1 1 95 95 CYS CB C 13 46.248 0.046 . 1 . . . . 95 CYS CB . 18823 1 990 . 1 1 95 95 CYS N N 15 124.138 0.069 . 1 . . . . 95 CYS N . 18823 1 991 . 1 1 96 96 ASN H H 1 9.053 0.005 . 1 . . . . 96 ASN H . 18823 1 992 . 1 1 96 96 ASN HA H 1 4.937 0.014 . 1 . . . . 96 ASN HA . 18823 1 993 . 1 1 96 96 ASN HB2 H 1 2.708 0.015 . 1 . . . . 96 ASN HB2 . 18823 1 994 . 1 1 96 96 ASN HB3 H 1 2.705 0.012 . 1 . . . . 96 ASN HB3 . 18823 1 995 . 1 1 96 96 ASN HD22 H 1 6.822 0.002 . 1 . . . . 96 ASN HD22 . 18823 1 996 . 1 1 96 96 ASN C C 13 173.661 0.000 . 1 . . . . 96 ASN C . 18823 1 997 . 1 1 96 96 ASN CA C 13 52.964 0.000 . 1 . . . . 96 ASN CA . 18823 1 998 . 1 1 96 96 ASN CB C 13 40.095 0.190 . 1 . . . . 96 ASN CB . 18823 1 999 . 1 1 96 96 ASN N N 15 122.613 0.041 . 1 . . . . 96 ASN N . 18823 1 1000 . 1 1 96 96 ASN ND2 N 15 111.829 0.000 . 1 . . . . 96 ASN ND2 . 18823 1 1001 . 1 1 97 97 ILE H H 1 8.307 0.015 . 1 . . . . 97 ILE H . 18823 1 1002 . 1 1 97 97 ILE HA H 1 4.483 0.015 . 1 . . . . 97 ILE HA . 18823 1 1003 . 1 1 97 97 ILE HB H 1 1.976 0.020 . 1 . . . . 97 ILE HB . 18823 1 1004 . 1 1 97 97 ILE HG12 H 1 1.454 0.013 . 2 . . . . 97 ILE HG12 . 18823 1 1005 . 1 1 97 97 ILE HG13 H 1 0.981 0.005 . 2 . . . . 97 ILE HG13 . 18823 1 1006 . 1 1 97 97 ILE HG21 H 1 0.846 0.014 . 1 . . . . 97 ILE HG21 . 18823 1 1007 . 1 1 97 97 ILE HG22 H 1 0.846 0.014 . 1 . . . . 97 ILE HG22 . 18823 1 1008 . 1 1 97 97 ILE HG23 H 1 0.846 0.014 . 1 . . . . 97 ILE HG23 . 18823 1 1009 . 1 1 97 97 ILE HD11 H 1 0.845 0.013 . 1 . . . . 97 ILE HD11 . 18823 1 1010 . 1 1 97 97 ILE HD12 H 1 0.845 0.013 . 1 . . . . 97 ILE HD12 . 18823 1 1011 . 1 1 97 97 ILE HD13 H 1 0.845 0.013 . 1 . . . . 97 ILE HD13 . 18823 1 1012 . 1 1 97 97 ILE C C 13 173.928 0.000 . 1 . . . . 97 ILE C . 18823 1 1013 . 1 1 97 97 ILE CA C 13 60.123 0.000 . 1 . . . . 97 ILE CA . 18823 1 1014 . 1 1 97 97 ILE CB C 13 39.475 0.046 . 1 . . . . 97 ILE CB . 18823 1 1015 . 1 1 97 97 ILE CG1 C 13 29.275 0.149 . 1 . . . . 97 ILE CG1 . 18823 1 1016 . 1 1 97 97 ILE CG2 C 13 15.588 0.143 . 1 . . . . 97 ILE CG2 . 18823 1 1017 . 1 1 97 97 ILE CD1 C 13 15.528 0.151 . 1 . . . . 97 ILE CD1 . 18823 1 1018 . 1 1 97 97 ILE N N 15 122.688 0.077 . 1 . . . . 97 ILE N . 18823 1 1019 . 1 1 98 98 GLN H H 1 8.760 0.012 . 1 . . . . 98 GLN H . 18823 1 1020 . 1 1 98 98 GLN HA H 1 4.233 0.014 . 1 . . . . 98 GLN HA . 18823 1 1021 . 1 1 98 98 GLN HB2 H 1 2.066 0.013 . 1 . . . . 98 GLN HB2 . 18823 1 1022 . 1 1 98 98 GLN HB3 H 1 2.066 0.013 . 1 . . . . 98 GLN HB3 . 18823 1 1023 . 1 1 98 98 GLN HG2 H 1 2.376 0.005 . 1 . . . . 98 GLN HG2 . 18823 1 1024 . 1 1 98 98 GLN HG3 H 1 2.376 0.005 . 1 . . . . 98 GLN HG3 . 18823 1 1025 . 1 1 98 98 GLN C C 13 176.610 0.000 . 1 . . . . 98 GLN C . 18823 1 1026 . 1 1 98 98 GLN CA C 13 57.096 0.000 . 1 . . . . 98 GLN CA . 18823 1 1027 . 1 1 98 98 GLN CB C 13 28.813 0.091 . 1 . . . . 98 GLN CB . 18823 1 1028 . 1 1 98 98 GLN CG C 13 33.912 0.138 . 1 . . . . 98 GLN CG . 18823 1 1029 . 1 1 98 98 GLN N N 15 127.022 0.016 . 1 . . . . 98 GLN N . 18823 1 1030 . 1 1 99 99 SER H H 1 8.258 0.014 . 1 . . . . 99 SER H . 18823 1 1031 . 1 1 99 99 SER HA H 1 4.228 0.037 . 1 . . . . 99 SER HA . 18823 1 1032 . 1 1 99 99 SER HB2 H 1 3.950 0.039 . 1 . . . . 99 SER HB2 . 18823 1 1033 . 1 1 99 99 SER HB3 H 1 3.946 0.038 . 1 . . . . 99 SER HB3 . 18823 1 1034 . 1 1 99 99 SER C C 13 173.898 0.000 . 1 . . . . 99 SER C . 18823 1 1035 . 1 1 99 99 SER CA C 13 58.071 0.000 . 1 . . . . 99 SER CA . 18823 1 1036 . 1 1 99 99 SER CB C 13 62.689 0.168 . 1 . . . . 99 SER CB . 18823 1 1037 . 1 1 99 99 SER N N 15 112.368 0.032 . 1 . . . . 99 SER N . 18823 1 1038 . 1 1 100 100 ASP H H 1 7.744 0.010 . 1 . . . . 100 ASP H . 18823 1 1039 . 1 1 100 100 ASP HA H 1 4.721 0.031 . 1 . . . . 100 ASP HA . 18823 1 1040 . 1 1 100 100 ASP HB2 H 1 2.857 0.016 . 2 . . . . 100 ASP HB2 . 18823 1 1041 . 1 1 100 100 ASP HB3 H 1 2.397 0.017 . 2 . . . . 100 ASP HB3 . 18823 1 1042 . 1 1 100 100 ASP C C 13 174.569 0.000 . 1 . . . . 100 ASP C . 18823 1 1043 . 1 1 100 100 ASP CA C 13 53.388 0.000 . 1 . . . . 100 ASP CA . 18823 1 1044 . 1 1 100 100 ASP CB C 13 41.103 0.186 . 1 . . . . 100 ASP CB . 18823 1 1045 . 1 1 100 100 ASP N N 15 120.156 0.052 . 1 . . . . 100 ASP N . 18823 1 1046 . 1 1 101 101 SER H H 1 8.830 0.005 . 1 . . . . 101 SER H . 18823 1 1047 . 1 1 101 101 SER HA H 1 4.197 0.024 . 1 . . . . 101 SER HA . 18823 1 1048 . 1 1 101 101 SER HB2 H 1 3.907 0.007 . 1 . . . . 101 SER HB2 . 18823 1 1049 . 1 1 101 101 SER HB3 H 1 3.905 0.005 . 1 . . . . 101 SER HB3 . 18823 1 1050 . 1 1 101 101 SER C C 13 176.722 0.000 . 1 . . . . 101 SER C . 18823 1 1051 . 1 1 101 101 SER CA C 13 61.276 0.000 . 1 . . . . 101 SER CA . 18823 1 1052 . 1 1 101 101 SER CB C 13 62.667 0.214 . 1 . . . . 101 SER CB . 18823 1 1053 . 1 1 101 101 SER N N 15 121.733 0.076 . 1 . . . . 101 SER N . 18823 1 1054 . 1 1 102 102 ALA H H 1 8.323 0.011 . 1 . . . . 102 ALA H . 18823 1 1055 . 1 1 102 102 ALA HA H 1 4.196 0.013 . 1 . . . . 102 ALA HA . 18823 1 1056 . 1 1 102 102 ALA HB1 H 1 1.440 0.017 . 1 . . . . 102 ALA HB1 . 18823 1 1057 . 1 1 102 102 ALA HB2 H 1 1.440 0.017 . 1 . . . . 102 ALA HB2 . 18823 1 1058 . 1 1 102 102 ALA HB3 H 1 1.440 0.017 . 1 . . . . 102 ALA HB3 . 18823 1 1059 . 1 1 102 102 ALA C C 13 180.973 0.000 . 1 . . . . 102 ALA C . 18823 1 1060 . 1 1 102 102 ALA CA C 13 54.628 0.158 . 1 . . . . 102 ALA CA . 18823 1 1061 . 1 1 102 102 ALA CB C 13 17.849 0.133 . 1 . . . . 102 ALA CB . 18823 1 1062 . 1 1 102 102 ALA N N 15 124.927 0.096 . 1 . . . . 102 ALA N . 18823 1 1063 . 1 1 103 103 LEU H H 1 7.989 0.017 . 1 . . . . 103 LEU H . 18823 1 1064 . 1 1 103 103 LEU HA H 1 4.062 0.021 . 1 . . . . 103 LEU HA . 18823 1 1065 . 1 1 103 103 LEU HB2 H 1 1.483 0.031 . 1 . . . . 103 LEU HB2 . 18823 1 1066 . 1 1 103 103 LEU HB3 H 1 1.495 0.049 . 1 . . . . 103 LEU HB3 . 18823 1 1067 . 1 1 103 103 LEU HG H 1 0.876 0.029 . 1 . . . . 103 LEU HG . 18823 1 1068 . 1 1 103 103 LEU C C 13 178.143 0.000 . 1 . . . . 103 LEU C . 18823 1 1069 . 1 1 103 103 LEU CA C 13 57.056 0.000 . 1 . . . . 103 LEU CA . 18823 1 1070 . 1 1 103 103 LEU CB C 13 40.793 0.000 . 1 . . . . 103 LEU CB . 18823 1 1071 . 1 1 103 103 LEU CG C 13 25.923 0.186 . 1 . . . . 103 LEU CG . 18823 1 1072 . 1 1 103 103 LEU CD1 C 13 23.358 0.000 . 2 . . . . 103 LEU CD1 . 18823 1 1073 . 1 1 103 103 LEU CD2 C 13 25.973 0.000 . 2 . . . . 103 LEU CD2 . 18823 1 1074 . 1 1 103 103 LEU N N 15 122.236 0.150 . 1 . . . . 103 LEU N . 18823 1 1075 . 1 1 104 104 GLN H H 1 8.209 0.018 . 1 . . . . 104 GLN H . 18823 1 1076 . 1 1 104 104 GLN HA H 1 3.452 0.023 . 1 . . . . 104 GLN HA . 18823 1 1077 . 1 1 104 104 GLN HB2 H 1 2.238 0.024 . 2 . . . . 104 GLN HB2 . 18823 1 1078 . 1 1 104 104 GLN HB3 H 1 2.104 0.014 . 2 . . . . 104 GLN HB3 . 18823 1 1079 . 1 1 104 104 GLN HG2 H 1 2.248 0.033 . 1 . . . . 104 GLN HG2 . 18823 1 1080 . 1 1 104 104 GLN HG3 H 1 2.218 0.002 . 2 . . . . 104 GLN HG3 . 18823 1 1081 . 1 1 104 104 GLN C C 13 177.810 0.000 . 1 . . . . 104 GLN C . 18823 1 1082 . 1 1 104 104 GLN CA C 13 61.281 0.122 . 1 . . . . 104 GLN CA . 18823 1 1083 . 1 1 104 104 GLN CB C 13 28.288 0.229 . 1 . . . . 104 GLN CB . 18823 1 1084 . 1 1 104 104 GLN CG C 13 33.721 0.118 . 1 . . . . 104 GLN CG . 18823 1 1085 . 1 1 104 104 GLN N N 15 120.728 0.043 . 1 . . . . 104 GLN N . 18823 1 1086 . 1 1 105 105 GLN H H 1 8.170 0.019 . 1 . . . . 105 GLN H . 18823 1 1087 . 1 1 105 105 GLN HA H 1 3.966 0.026 . 1 . . . . 105 GLN HA . 18823 1 1088 . 1 1 105 105 GLN HB2 H 1 2.106 0.027 . 2 . . . . 105 GLN HB2 . 18823 1 1089 . 1 1 105 105 GLN HB3 H 1 2.096 0.026 . 2 . . . . 105 GLN HB3 . 18823 1 1090 . 1 1 105 105 GLN HG2 H 1 2.502 0.003 . 2 . . . . 105 GLN HG2 . 18823 1 1091 . 1 1 105 105 GLN HG3 H 1 2.357 0.000 . 2 . . . . 105 GLN HG3 . 18823 1 1092 . 1 1 105 105 GLN HE22 H 1 6.846 0.005 . 1 . . . . 105 GLN HE22 . 18823 1 1093 . 1 1 105 105 GLN C C 13 178.144 0.000 . 1 . . . . 105 GLN C . 18823 1 1094 . 1 1 105 105 GLN CA C 13 58.681 0.098 . 1 . . . . 105 GLN CA . 18823 1 1095 . 1 1 105 105 GLN CB C 13 28.597 0.153 . 1 . . . . 105 GLN CB . 18823 1 1096 . 1 1 105 105 GLN CG C 13 34.025 0.106 . 1 . . . . 105 GLN CG . 18823 1 1097 . 1 1 105 105 GLN N N 15 117.072 0.041 . 1 . . . . 105 GLN N . 18823 1 1098 . 1 1 105 105 GLN NE2 N 15 112.369 0.035 . 1 . . . . 105 GLN NE2 . 18823 1 1099 . 1 1 106 106 ALA H H 1 7.959 0.018 . 1 . . . . 106 ALA H . 18823 1 1100 . 1 1 106 106 ALA HA H 1 4.192 0.015 . 1 . . . . 106 ALA HA . 18823 1 1101 . 1 1 106 106 ALA HB1 H 1 1.339 0.032 . 1 . . . . 106 ALA HB1 . 18823 1 1102 . 1 1 106 106 ALA HB2 H 1 1.339 0.032 . 1 . . . . 106 ALA HB2 . 18823 1 1103 . 1 1 106 106 ALA HB3 H 1 1.339 0.032 . 1 . . . . 106 ALA HB3 . 18823 1 1104 . 1 1 106 106 ALA C C 13 179.472 0.000 . 1 . . . . 106 ALA C . 18823 1 1105 . 1 1 106 106 ALA CA C 13 54.628 0.158 . 1 . . . . 106 ALA CA . 18823 1 1106 . 1 1 106 106 ALA CB C 13 17.997 0.125 . 1 . . . . 106 ALA CB . 18823 1 1107 . 1 1 106 106 ALA N N 15 121.999 0.166 . 1 . . . . 106 ALA N . 18823 1 1108 . 1 1 107 107 CYS H H 1 8.504 0.010 . 1 . . . . 107 CYS H . 18823 1 1109 . 1 1 107 107 CYS HA H 1 4.091 0.010 . 1 . . . . 107 CYS HA . 18823 1 1110 . 1 1 107 107 CYS HB2 H 1 3.648 0.011 . 2 . . . . 107 CYS HB2 . 18823 1 1111 . 1 1 107 107 CYS HB3 H 1 2.853 0.016 . 2 . . . . 107 CYS HB3 . 18823 1 1112 . 1 1 107 107 CYS C C 13 175.067 0.000 . 1 . . . . 107 CYS C . 18823 1 1113 . 1 1 107 107 CYS CA C 13 60.013 0.000 . 1 . . . . 107 CYS CA . 18823 1 1114 . 1 1 107 107 CYS CB C 13 38.192 0.033 . 1 . . . . 107 CYS CB . 18823 1 1115 . 1 1 107 107 CYS N N 15 118.273 0.097 . 1 . . . . 107 CYS N . 18823 1 1116 . 1 1 108 108 GLU H H 1 8.311 0.011 . 1 . . . . 108 GLU H . 18823 1 1117 . 1 1 108 108 GLU HA H 1 3.671 0.010 . 1 . . . . 108 GLU HA . 18823 1 1118 . 1 1 108 108 GLU HB2 H 1 1.974 0.026 . 1 . . . . 108 GLU HB2 . 18823 1 1119 . 1 1 108 108 GLU HB3 H 1 1.974 0.025 . 1 . . . . 108 GLU HB3 . 18823 1 1120 . 1 1 108 108 GLU HG2 H 1 2.724 0.029 . 2 . . . . 108 GLU HG2 . 18823 1 1121 . 1 1 108 108 GLU HG3 H 1 1.978 0.018 . 2 . . . . 108 GLU HG3 . 18823 1 1122 . 1 1 108 108 GLU C C 13 178.331 0.000 . 1 . . . . 108 GLU C . 18823 1 1123 . 1 1 108 108 GLU CA C 13 59.383 0.067 . 1 . . . . 108 GLU CA . 18823 1 1124 . 1 1 108 108 GLU CB C 13 29.080 0.231 . 1 . . . . 108 GLU CB . 18823 1 1125 . 1 1 108 108 GLU CG C 13 37.846 0.114 . 1 . . . . 108 GLU CG . 18823 1 1126 . 1 1 108 108 GLU N N 15 122.002 0.126 . 1 . . . . 108 GLU N . 18823 1 1127 . 1 1 109 109 ASP H H 1 7.823 0.008 . 1 . . . . 109 ASP H . 18823 1 1128 . 1 1 109 109 ASP HA H 1 4.459 0.014 . 1 . . . . 109 ASP HA . 18823 1 1129 . 1 1 109 109 ASP HB2 H 1 2.794 0.033 . 2 . . . . 109 ASP HB2 . 18823 1 1130 . 1 1 109 109 ASP HB3 H 1 2.708 0.014 . 2 . . . . 109 ASP HB3 . 18823 1 1131 . 1 1 109 109 ASP C C 13 177.908 0.000 . 1 . . . . 109 ASP C . 18823 1 1132 . 1 1 109 109 ASP CA C 13 56.588 0.000 . 1 . . . . 109 ASP CA . 18823 1 1133 . 1 1 109 109 ASP CB C 13 41.298 0.079 . 1 . . . . 109 ASP CB . 18823 1 1134 . 1 1 109 109 ASP N N 15 117.595 0.134 . 1 . . . . 109 ASP N . 18823 1 1135 . 1 1 110 110 VAL H H 1 7.973 0.011 . 1 . . . . 110 VAL H . 18823 1 1136 . 1 1 110 110 VAL HA H 1 3.654 0.003 . 1 . . . . 110 VAL HA . 18823 1 1137 . 1 1 110 110 VAL HB H 1 1.917 0.019 . 1 . . . . 110 VAL HB . 18823 1 1138 . 1 1 110 110 VAL HG11 H 1 0.989 0.025 . 2 . . . . 110 VAL HG11 . 18823 1 1139 . 1 1 110 110 VAL HG12 H 1 0.989 0.025 . 2 . . . . 110 VAL HG12 . 18823 1 1140 . 1 1 110 110 VAL HG13 H 1 0.989 0.025 . 2 . . . . 110 VAL HG13 . 18823 1 1141 . 1 1 110 110 VAL HG21 H 1 0.464 0.008 . 2 . . . . 110 VAL HG21 . 18823 1 1142 . 1 1 110 110 VAL HG22 H 1 0.464 0.008 . 2 . . . . 110 VAL HG22 . 18823 1 1143 . 1 1 110 110 VAL HG23 H 1 0.464 0.008 . 2 . . . . 110 VAL HG23 . 18823 1 1144 . 1 1 110 110 VAL C C 13 177.134 0.000 . 1 . . . . 110 VAL C . 18823 1 1145 . 1 1 110 110 VAL CA C 13 65.926 0.327 . 1 . . . . 110 VAL CA . 18823 1 1146 . 1 1 110 110 VAL CB C 13 32.564 0.053 . 1 . . . . 110 VAL CB . 18823 1 1147 . 1 1 110 110 VAL CG1 C 13 21.833 0.000 . 2 . . . . 110 VAL CG1 . 18823 1 1148 . 1 1 110 110 VAL CG2 C 13 23.407 0.000 . 2 . . . . 110 VAL CG2 . 18823 1 1149 . 1 1 110 110 VAL N N 15 119.410 0.045 . 1 . . . . 110 VAL N . 18823 1 1150 . 1 1 111 111 PHE H H 1 8.361 0.010 . 1 . . . . 111 PHE H . 18823 1 1151 . 1 1 111 111 PHE HA H 1 4.085 0.011 . 1 . . . . 111 PHE HA . 18823 1 1152 . 1 1 111 111 PHE HB2 H 1 3.014 0.029 . 2 . . . . 111 PHE HB2 . 18823 1 1153 . 1 1 111 111 PHE HB3 H 1 2.778 0.030 . 2 . . . . 111 PHE HB3 . 18823 1 1154 . 1 1 111 111 PHE HD1 H 1 7.330 0.019 . 3 . . . . 111 PHE HD1 . 18823 1 1155 . 1 1 111 111 PHE HD2 H 1 7.330 0.019 . 3 . . . . 111 PHE HD2 . 18823 1 1156 . 1 1 111 111 PHE HE1 H 1 6.886 0.011 . 3 . . . . 111 PHE HE1 . 18823 1 1157 . 1 1 111 111 PHE HE2 H 1 6.886 0.011 . 3 . . . . 111 PHE HE2 . 18823 1 1158 . 1 1 111 111 PHE HZ H 1 6.703 0.015 . 1 . . . . 111 PHE HZ . 18823 1 1159 . 1 1 111 111 PHE C C 13 173.740 0.000 . 1 . . . . 111 PHE C . 18823 1 1160 . 1 1 111 111 PHE CA C 13 58.861 0.000 . 1 . . . . 111 PHE CA . 18823 1 1161 . 1 1 111 111 PHE CB C 13 37.106 0.000 . 1 . . . . 111 PHE CB . 18823 1 1162 . 1 1 111 111 PHE N N 15 117.292 0.108 . 1 . . . . 111 PHE N . 18823 1 1163 . 1 1 112 112 ARG H H 1 6.965 0.009 . 1 . . . . 112 ARG H . 18823 1 1164 . 1 1 112 112 ARG HA H 1 4.234 0.022 . 1 . . . . 112 ARG HA . 18823 1 1165 . 1 1 112 112 ARG HB2 H 1 1.772 0.019 . 1 . . . . 112 ARG HB2 . 18823 1 1166 . 1 1 112 112 ARG HB3 H 1 1.768 0.020 . 1 . . . . 112 ARG HB3 . 18823 1 1167 . 1 1 112 112 ARG HG2 H 1 1.536 0.029 . 1 . . . . 112 ARG HG2 . 18823 1 1168 . 1 1 112 112 ARG HG3 H 1 1.516 0.039 . 1 . . . . 112 ARG HG3 . 18823 1 1169 . 1 1 112 112 ARG HD2 H 1 3.187 0.016 . 1 . . . . 112 ARG HD2 . 18823 1 1170 . 1 1 112 112 ARG HD3 H 1 3.188 0.018 . 1 . . . . 112 ARG HD3 . 18823 1 1171 . 1 1 112 112 ARG C C 13 175.365 0.000 . 1 . . . . 112 ARG C . 18823 1 1172 . 1 1 112 112 ARG CA C 13 56.399 0.000 . 1 . . . . 112 ARG CA . 18823 1 1173 . 1 1 112 112 ARG CB C 13 30.741 0.092 . 1 . . . . 112 ARG CB . 18823 1 1174 . 1 1 112 112 ARG CG C 13 27.025 0.086 . 1 . . . . 112 ARG CG . 18823 1 1175 . 1 1 112 112 ARG CD C 13 43.440 0.073 . 1 . . . . 112 ARG CD . 18823 1 1176 . 1 1 112 112 ARG N N 15 121.154 0.021 . 1 . . . . 112 ARG N . 18823 1 1177 . 1 1 113 113 PHE H H 1 8.703 0.009 . 1 . . . . 113 PHE H . 18823 1 1178 . 1 1 113 113 PHE HA H 1 4.710 0.045 . 1 . . . . 113 PHE HA . 18823 1 1179 . 1 1 113 113 PHE HB2 H 1 3.402 0.013 . 2 . . . . 113 PHE HB2 . 18823 1 1180 . 1 1 113 113 PHE HB3 H 1 2.978 0.022 . 2 . . . . 113 PHE HB3 . 18823 1 1181 . 1 1 113 113 PHE HD1 H 1 7.284 0.018 . 3 . . . . 113 PHE HD1 . 18823 1 1182 . 1 1 113 113 PHE HD2 H 1 7.284 0.018 . 3 . . . . 113 PHE HD2 . 18823 1 1183 . 1 1 113 113 PHE HE1 H 1 7.176 0.012 . 3 . . . . 113 PHE HE1 . 18823 1 1184 . 1 1 113 113 PHE HE2 H 1 7.176 0.012 . 3 . . . . 113 PHE HE2 . 18823 1 1185 . 1 1 113 113 PHE C C 13 174.953 0.000 . 1 . . . . 113 PHE C . 18823 1 1186 . 1 1 113 113 PHE CA C 13 57.154 0.000 . 1 . . . . 113 PHE CA . 18823 1 1187 . 1 1 113 113 PHE CB C 13 40.106 0.187 . 1 . . . . 113 PHE CB . 18823 1 1188 . 1 1 113 113 PHE CE1 C 13 130.804 0.000 . 3 . . . . 113 PHE CE1 . 18823 1 1189 . 1 1 113 113 PHE CE2 C 13 130.804 0.000 . 3 . . . . 113 PHE CE2 . 18823 1 1190 . 1 1 113 113 PHE N N 15 125.517 0.025 . 1 . . . . 113 PHE N . 18823 1 1191 . 1 1 114 114 ASP H H 1 8.403 0.014 . 1 . . . . 114 ASP H . 18823 1 1192 . 1 1 114 114 ASP HA H 1 4.657 0.001 . 1 . . . . 114 ASP HA . 18823 1 1193 . 1 1 114 114 ASP HB2 H 1 2.696 0.022 . 2 . . . . 114 ASP HB2 . 18823 1 1194 . 1 1 114 114 ASP HB3 H 1 2.590 0.016 . 2 . . . . 114 ASP HB3 . 18823 1 1195 . 1 1 114 114 ASP C C 13 175.721 0.000 . 1 . . . . 114 ASP C . 18823 1 1196 . 1 1 114 114 ASP CA C 13 54.183 0.000 . 1 . . . . 114 ASP CA . 18823 1 1197 . 1 1 114 114 ASP CB C 13 41.158 0.187 . 1 . . . . 114 ASP CB . 18823 1 1198 . 1 1 114 114 ASP N N 15 122.936 0.067 . 1 . . . . 114 ASP N . 18823 1 1199 . 1 1 115 115 ASP H H 1 8.373 0.006 . 1 . . . . 115 ASP H . 18823 1 1200 . 1 1 115 115 ASP HA H 1 4.498 0.037 . 1 . . . . 115 ASP HA . 18823 1 1201 . 1 1 115 115 ASP HB2 H 1 2.698 0.020 . 1 . . . . 115 ASP HB2 . 18823 1 1202 . 1 1 115 115 ASP HB3 H 1 2.703 0.023 . 1 . . . . 115 ASP HB3 . 18823 1 1203 . 1 1 115 115 ASP C C 13 176.678 0.000 . 1 . . . . 115 ASP C . 18823 1 1204 . 1 1 115 115 ASP CA C 13 54.612 0.000 . 1 . . . . 115 ASP CA . 18823 1 1205 . 1 1 115 115 ASP CB C 13 41.056 0.159 . 1 . . . . 115 ASP CB . 18823 1 1206 . 1 1 115 115 ASP N N 15 121.255 0.060 . 1 . . . . 115 ASP N . 18823 1 1207 . 1 1 116 116 ALA H H 1 8.374 0.007 . 1 . . . . 116 ALA H . 18823 1 1208 . 1 1 116 116 ALA HA H 1 4.205 0.006 . 1 . . . . 116 ALA HA . 18823 1 1209 . 1 1 116 116 ALA HB1 H 1 1.351 0.022 . 1 . . . . 116 ALA HB1 . 18823 1 1210 . 1 1 116 116 ALA HB2 H 1 1.351 0.022 . 1 . . . . 116 ALA HB2 . 18823 1 1211 . 1 1 116 116 ALA HB3 H 1 1.351 0.022 . 1 . . . . 116 ALA HB3 . 18823 1 1212 . 1 1 116 116 ALA C C 13 177.929 0.000 . 1 . . . . 116 ALA C . 18823 1 1213 . 1 1 116 116 ALA CA C 13 53.339 0.000 . 1 . . . . 116 ALA CA . 18823 1 1214 . 1 1 116 116 ALA CB C 13 18.732 0.128 . 1 . . . . 116 ALA CB . 18823 1 1215 . 1 1 116 116 ALA N N 15 124.720 0.161 . 1 . . . . 116 ALA N . 18823 1 1216 . 1 1 117 117 ASN H H 1 8.414 0.013 . 1 . . . . 117 ASN H . 18823 1 1217 . 1 1 117 117 ASN HA H 1 4.656 0.009 . 1 . . . . 117 ASN HA . 18823 1 1218 . 1 1 117 117 ASN HB2 H 1 2.696 0.014 . 2 . . . . 117 ASN HB2 . 18823 1 1219 . 1 1 117 117 ASN HB3 H 1 2.828 0.024 . 2 . . . . 117 ASN HB3 . 18823 1 1220 . 1 1 117 117 ASN C C 13 175.226 0.000 . 1 . . . . 117 ASN C . 18823 1 1221 . 1 1 117 117 ASN CA C 13 53.420 0.000 . 1 . . . . 117 ASN CA . 18823 1 1222 . 1 1 117 117 ASN CB C 13 38.437 0.160 . 1 . . . . 117 ASN CB . 18823 1 1223 . 1 1 117 117 ASN N N 15 116.003 0.159 . 1 . . . . 117 ASN N . 18823 1 1224 . 1 1 118 118 LEU H H 1 7.923 0.021 . 1 . . . . 118 LEU H . 18823 1 1225 . 1 1 118 118 LEU HA H 1 4.356 0.029 . 1 . . . . 118 LEU HA . 18823 1 1226 . 1 1 118 118 LEU HB2 H 1 1.621 0.023 . 1 . . . . 118 LEU HB2 . 18823 1 1227 . 1 1 118 118 LEU HB3 H 1 1.597 0.045 . 1 . . . . 118 LEU HB3 . 18823 1 1228 . 1 1 118 118 LEU HG H 1 1.592 0.043 . 1 . . . . 118 LEU HG . 18823 1 1229 . 1 1 118 118 LEU HD11 H 1 0.907 0.000 . 2 . . . . 118 LEU HD11 . 18823 1 1230 . 1 1 118 118 LEU HD12 H 1 0.907 0.000 . 2 . . . . 118 LEU HD12 . 18823 1 1231 . 1 1 118 118 LEU HD13 H 1 0.890 0.030 . 1 . . . . 118 LEU HD13 . 18823 1 1232 . 1 1 118 118 LEU HD21 H 1 0.907 0.030 . 1 . . . . 118 LEU HD21 . 18823 1 1233 . 1 1 118 118 LEU HD22 H 1 0.800 0.000 . 2 . . . . 118 LEU HD22 . 18823 1 1234 . 1 1 118 118 LEU HD23 H 1 0.907 0.030 . 1 . . . . 118 LEU HD23 . 18823 1 1235 . 1 1 118 118 LEU C C 13 177.135 0.000 . 1 . . . . 118 LEU C . 18823 1 1236 . 1 1 118 118 LEU CA C 13 55.272 0.036 . 1 . . . . 118 LEU CA . 18823 1 1237 . 1 1 118 118 LEU CB C 13 41.935 0.193 . 1 . . . . 118 LEU CB . 18823 1 1238 . 1 1 118 118 LEU CG C 13 27.060 0.081 . 1 . . . . 118 LEU CG . 18823 1 1239 . 1 1 118 118 LEU CD1 C 13 23.344 0.000 . 2 . . . . 118 LEU CD1 . 18823 1 1240 . 1 1 118 118 LEU CD2 C 13 25.634 0.327 . 2 . . . . 118 LEU CD2 . 18823 1 1241 . 1 1 118 118 LEU N N 15 121.829 0.029 . 1 . . . . 118 LEU N . 18823 1 1242 . 1 1 119 119 VAL H H 1 8.187 0.010 . 1 . . . . 119 VAL H . 18823 1 1243 . 1 1 119 119 VAL HA H 1 4.288 0.011 . 1 . . . . 119 VAL HA . 18823 1 1244 . 1 1 119 119 VAL HB H 1 2.032 0.007 . 1 . . . . 119 VAL HB . 18823 1 1245 . 1 1 119 119 VAL HG11 H 1 0.913 0.019 . 1 . . . . 119 VAL HG11 . 18823 1 1246 . 1 1 119 119 VAL HG12 H 1 0.913 0.019 . 1 . . . . 119 VAL HG12 . 18823 1 1247 . 1 1 119 119 VAL HG13 H 1 0.913 0.019 . 1 . . . . 119 VAL HG13 . 18823 1 1248 . 1 1 119 119 VAL HG21 H 1 0.911 0.009 . 1 . . . . 119 VAL HG21 . 18823 1 1249 . 1 1 119 119 VAL HG22 H 1 0.911 0.009 . 1 . . . . 119 VAL HG22 . 18823 1 1250 . 1 1 119 119 VAL HG23 H 1 0.911 0.009 . 1 . . . . 119 VAL HG23 . 18823 1 1251 . 1 1 119 119 VAL CA C 13 59.970 0.056 . 1 . . . . 119 VAL CA . 18823 1 1252 . 1 1 119 119 VAL CB C 13 32.466 0.066 . 1 . . . . 119 VAL CB . 18823 1 1253 . 1 1 119 119 VAL CG1 C 13 21.206 0.257 . 1 . . . . 119 VAL CG1 . 18823 1 1254 . 1 1 119 119 VAL CG2 C 13 21.050 0.131 . 1 . . . . 119 VAL CG2 . 18823 1 1255 . 1 1 119 119 VAL N N 15 122.679 0.027 . 1 . . . . 119 VAL N . 18823 1 1256 . 1 1 120 120 PRO HA H 1 4.373 0.004 . 1 . . . . 120 PRO HA . 18823 1 1257 . 1 1 120 120 PRO HB2 H 1 1.816 0.049 . 2 . . . . 120 PRO HB2 . 18823 1 1258 . 1 1 120 120 PRO HB3 H 1 2.250 0.013 . 2 . . . . 120 PRO HB3 . 18823 1 1259 . 1 1 120 120 PRO HG2 H 1 1.984 0.021 . 1 . . . . 120 PRO HG2 . 18823 1 1260 . 1 1 120 120 PRO HG3 H 1 1.984 0.021 . 1 . . . . 120 PRO HG3 . 18823 1 1261 . 1 1 120 120 PRO HD2 H 1 3.601 0.017 . 2 . . . . 120 PRO HD2 . 18823 1 1262 . 1 1 120 120 PRO HD3 H 1 3.845 0.013 . 2 . . . . 120 PRO HD3 . 18823 1 1263 . 1 1 120 120 PRO C C 13 176.962 0.000 . 1 . . . . 120 PRO C . 18823 1 1264 . 1 1 120 120 PRO CA C 13 62.953 0.085 . 1 . . . . 120 PRO CA . 18823 1 1265 . 1 1 120 120 PRO CB C 13 31.981 0.208 . 1 . . . . 120 PRO CB . 18823 1 1266 . 1 1 120 120 PRO CG C 13 27.830 0.070 . 1 . . . . 120 PRO CG . 18823 1 1267 . 1 1 120 120 PRO CD C 13 50.899 0.047 . 1 . . . . 120 PRO CD . 18823 1 1268 . 1 1 121 121 ARG H H 1 8.514 0.015 . 1 . . . . 121 ARG H . 18823 1 1269 . 1 1 121 121 ARG HA H 1 4.261 0.018 . 1 . . . . 121 ARG HA . 18823 1 1270 . 1 1 121 121 ARG HB2 H 1 1.793 0.028 . 1 . . . . 121 ARG HB2 . 18823 1 1271 . 1 1 121 121 ARG HB3 H 1 1.789 0.034 . 1 . . . . 121 ARG HB3 . 18823 1 1272 . 1 1 121 121 ARG HG2 H 1 1.699 0.027 . 1 . . . . 121 ARG HG2 . 18823 1 1273 . 1 1 121 121 ARG HG3 H 1 1.671 0.049 . 1 . . . . 121 ARG HG3 . 18823 1 1274 . 1 1 121 121 ARG HD2 H 1 3.162 0.010 . 1 . . . . 121 ARG HD2 . 18823 1 1275 . 1 1 121 121 ARG HD3 H 1 3.162 0.012 . 1 . . . . 121 ARG HD3 . 18823 1 1276 . 1 1 121 121 ARG C C 13 177.103 0.000 . 1 . . . . 121 ARG C . 18823 1 1277 . 1 1 121 121 ARG CA C 13 56.399 0.000 . 1 . . . . 121 ARG CA . 18823 1 1278 . 1 1 121 121 ARG CB C 13 30.659 0.185 . 1 . . . . 121 ARG CB . 18823 1 1279 . 1 1 121 121 ARG CG C 13 27.081 0.099 . 1 . . . . 121 ARG CG . 18823 1 1280 . 1 1 121 121 ARG CD C 13 43.368 0.051 . 1 . . . . 121 ARG CD . 18823 1 1281 . 1 1 121 121 ARG N N 15 121.885 0.037 . 1 . . . . 121 ARG N . 18823 1 1282 . 1 1 122 122 GLY H H 1 8.507 0.019 . 1 . . . . 122 GLY H . 18823 1 1283 . 1 1 122 122 GLY HA2 H 1 3.953 0.006 . 1 . . . . 122 GLY HA2 . 18823 1 1284 . 1 1 122 122 GLY HA3 H 1 3.954 0.007 . 1 . . . . 122 GLY HA3 . 18823 1 1285 . 1 1 122 122 GLY C C 13 174.246 0.000 . 1 . . . . 122 GLY C . 18823 1 1286 . 1 1 122 122 GLY CA C 13 45.110 0.136 . 1 . . . . 122 GLY CA . 18823 1 1287 . 1 1 122 122 GLY N N 15 110.205 0.027 . 1 . . . . 122 GLY N . 18823 1 1288 . 1 1 123 123 SER H H 1 8.353 0.022 . 1 . . . . 123 SER H . 18823 1 1289 . 1 1 123 123 SER HA H 1 4.393 0.023 . 1 . . . . 123 SER HA . 18823 1 1290 . 1 1 123 123 SER HB2 H 1 3.849 0.036 . 1 . . . . 123 SER HB2 . 18823 1 1291 . 1 1 123 123 SER HB3 H 1 3.852 0.037 . 1 . . . . 123 SER HB3 . 18823 1 1292 . 1 1 123 123 SER C C 13 175.218 0.000 . 1 . . . . 123 SER C . 18823 1 1293 . 1 1 123 123 SER CA C 13 58.681 0.150 . 1 . . . . 123 SER CA . 18823 1 1294 . 1 1 123 123 SER CB C 13 63.635 0.000 . 1 . . . . 123 SER CB . 18823 1 1295 . 1 1 123 123 SER N N 15 115.882 0.046 . 1 . . . . 123 SER N . 18823 1 1296 . 1 1 124 124 GLY H H 1 8.608 0.001 . 1 . . . . 124 GLY H . 18823 1 1297 . 1 1 124 124 GLY HA2 H 1 3.939 0.016 . 1 . . . . 124 GLY HA2 . 18823 1 1298 . 1 1 124 124 GLY HA3 H 1 3.940 0.014 . 1 . . . . 124 GLY HA3 . 18823 1 1299 . 1 1 124 124 GLY C C 13 174.296 0.000 . 1 . . . . 124 GLY C . 18823 1 1300 . 1 1 124 124 GLY CA C 13 45.315 0.232 . 1 . . . . 124 GLY CA . 18823 1 1301 . 1 1 124 124 GLY N N 15 111.089 0.004 . 1 . . . . 124 GLY N . 18823 1 1302 . 1 1 125 125 LEU H H 1 8.079 0.009 . 1 . . . . 125 LEU H . 18823 1 1303 . 1 1 125 125 LEU HA H 1 4.251 0.017 . 1 . . . . 125 LEU HA . 18823 1 1304 . 1 1 125 125 LEU HB2 H 1 1.525 0.032 . 1 . . . . 125 LEU HB2 . 18823 1 1305 . 1 1 125 125 LEU HB3 H 1 1.514 0.036 . 1 . . . . 125 LEU HB3 . 18823 1 1306 . 1 1 125 125 LEU HG H 1 1.512 0.029 . 1 . . . . 125 LEU HG . 18823 1 1307 . 1 1 125 125 LEU HD11 H 1 0.852 0.031 . 1 . . . . 125 LEU HD11 . 18823 1 1308 . 1 1 125 125 LEU HD12 H 1 0.852 0.000 . 1 . . . . 125 LEU HD12 . 18823 1 1309 . 1 1 125 125 LEU HD13 H 1 0.852 0.031 . 1 . . . . 125 LEU HD13 . 18823 1 1310 . 1 1 125 125 LEU HD21 H 1 0.851 0.021 . 1 . . . . 125 LEU HD21 . 18823 1 1311 . 1 1 125 125 LEU HD22 H 1 0.851 0.021 . 1 . . . . 125 LEU HD22 . 18823 1 1312 . 1 1 125 125 LEU HD23 H 1 0.851 0.021 . 1 . . . . 125 LEU HD23 . 18823 1 1313 . 1 1 125 125 LEU C C 13 177.520 0.000 . 1 . . . . 125 LEU C . 18823 1 1314 . 1 1 125 125 LEU CA C 13 55.640 0.000 . 1 . . . . 125 LEU CA . 18823 1 1315 . 1 1 125 125 LEU CB C 13 41.897 0.154 . 1 . . . . 125 LEU CB . 18823 1 1316 . 1 1 125 125 LEU CG C 13 27.051 0.124 . 1 . . . . 125 LEU CG . 18823 1 1317 . 1 1 125 125 LEU CD1 C 13 24.962 0.000 . 2 . . . . 125 LEU CD1 . 18823 1 1318 . 1 1 125 125 LEU CD2 C 13 23.685 0.615 . 2 . . . . 125 LEU CD2 . 18823 1 1319 . 1 1 125 125 LEU N N 15 121.110 0.055 . 1 . . . . 125 LEU N . 18823 1 1320 . 1 1 126 126 GLU H H 1 8.508 0.009 . 1 . . . . 126 GLU H . 18823 1 1321 . 1 1 126 126 GLU HA H 1 4.097 0.029 . 1 . . . . 126 GLU HA . 18823 1 1322 . 1 1 126 126 GLU HB2 H 1 1.851 0.028 . 1 . . . . 126 GLU HB2 . 18823 1 1323 . 1 1 126 126 GLU HB3 H 1 1.855 0.024 . 1 . . . . 126 GLU HB3 . 18823 1 1324 . 1 1 126 126 GLU HG2 H 1 2.126 0.031 . 1 . . . . 126 GLU HG2 . 18823 1 1325 . 1 1 126 126 GLU HG3 H 1 2.127 0.030 . 1 . . . . 126 GLU HG3 . 18823 1 1326 . 1 1 126 126 GLU C C 13 176.269 0.000 . 1 . . . . 126 GLU C . 18823 1 1327 . 1 1 126 126 GLU CA C 13 56.832 0.000 . 1 . . . . 126 GLU CA . 18823 1 1328 . 1 1 126 126 GLU CB C 13 29.764 0.000 . 1 . . . . 126 GLU CB . 18823 1 1329 . 1 1 126 126 GLU CG C 13 35.995 0.130 . 1 . . . . 126 GLU CG . 18823 1 1330 . 1 1 126 126 GLU N N 15 120.917 0.102 . 1 . . . . 126 GLU N . 18823 1 1331 . 1 1 127 127 HIS H H 1 8.252 0.000 . 1 . . . . 127 HIS H . 18823 1 1332 . 1 1 127 127 HIS HB2 H 1 3.163 0.000 . 1 . . . . 127 HIS HB2 . 18823 1 1333 . 1 1 127 127 HIS HB3 H 1 3.163 0.000 . 1 . . . . 127 HIS HB3 . 18823 1 1334 . 1 1 127 127 HIS C C 13 173.903 0.000 . 1 . . . . 127 HIS C . 18823 1 1335 . 1 1 127 127 HIS CA C 13 55.952 0.000 . 1 . . . . 127 HIS CA . 18823 1 1336 . 1 1 127 127 HIS CB C 13 30.459 0.000 . 1 . . . . 127 HIS CB . 18823 1 1337 . 1 1 127 127 HIS N N 15 119.694 0.000 . 1 . . . . 127 HIS N . 18823 1 1338 . 1 1 128 128 HIS H H 1 8.020 0.025 . 1 . . . . 128 HIS H . 18823 1 1339 . 1 1 128 128 HIS HB2 H 1 3.126 0.000 . 1 . . . . 128 HIS HB2 . 18823 1 1340 . 1 1 128 128 HIS HB3 H 1 3.126 0.000 . 1 . . . . 128 HIS HB3 . 18823 1 1341 . 1 1 128 128 HIS CA C 13 57.255 0.000 . 1 . . . . 128 HIS CA . 18823 1 1342 . 1 1 128 128 HIS CB C 13 30.459 0.000 . 1 . . . . 128 HIS CB . 18823 1 1343 . 1 1 128 128 HIS N N 15 125.523 0.023 . 1 . . . . 128 HIS N . 18823 1 stop_ save_